Novel homology model of the glycogen synthase kinase 3 alpha and its uses thereof

ABSTRACT

The present invention provides a novel homology three-dimensional structure of Glycogen Synthase Kinase 3-Alpha (GSK3-Alpha) or a variant thereof for screening, designing and/or synthesizing a modulator that modulates the activity of GSK3-Alpha and method of generating said three dimensional structure thereof. The three-dimensional structure of GSK3-Alpha is defined by at least a portion of structural co-ordinates of Table 1. Further, the present invention provides a computer assisted system for generating said three-dimensional structure of GSK3-Alpha or a variant thereof. Further, the present invention relates to a method of screening, designing and/or synthesizing a modulator for modulating the activity of GSK3-? or a variant thereof.

TECHNICAL FIELD

The present invention relates to a novel three-dimensional homology model (structure) of Glycogen Synthase Kinase3-Alpha (GSK3-Alpha) and uses thereof. More specifically, the invention relates to a method of screening modulators which modulate the activity of GSK3-Alpha using a novel homology three-dimensional model of GSK3-Alpha.

BACKGROUND OF THE INVENTION

The Glycogen Synthase Kinase3 (GSK3), a serine/threonine protein kinase family, comprises of Alpha and Beta isoforms, with integral roles in many aspects of cellular metabolism, proliferation, differentiation and development by phosphorylating and modulating the activity of a number of regulatory proteins in certain cell signaling pathways. Hence, GSK3 has been implicated in various diseases like diabetes, Alzheimer's disease, CNS disorders such as manic depressive disorder and neurodegenerative diseases, and cardiomyocete hypertrophy [WO 99/65897; WO 00/38675; and Haq et al., J. Cell Biol. (2000) 151, 117]. The regulatory proteins include the glycogen synthase which is the rate limiting enzyme necessary for glycogen synthesis, the microtubule associated protein Tau, the gene transcription factor β-catenin, the translation initiation factor e1F2B, as well as ATP citrate lyase, axin, heat shock factor-1, c-Jun, c-Myc, c-Myb, CREB, and CEPBα. It can thus be seen that these enzymes represent interesting pharmaceutical targets since complications arising from the expression of these enzymes could be treated by kinase inhibitors specific for the GSK3. Small molecules that inhibit GSK3 have recently been reported [WO 1999/65897 and WO 2000/38675].

The approach of homology modeling has been undertaken in cases of other proteins. There are few homology built models reported in the prior art such as U.S. Pat. No. 6,355,678 which discloses the homology model for EGF-R Kinase domain and the docking procedure for the same which is useful to rationally design compounds predicted to bind favorably to EGF-R Kinase & inhibit EGF-R TK activity. United States Patent 2005/4766 discloses the methods for obtaining and sequencing the proteins that are product of the genes exhibiting polymorphisms and determining the 3-D protein structural variant models for the proteins exhibiting the polymorphism and building a database. PCT application 2000/52050 discloses the homology model of a glucocorticoid receptor. PCT application 2005/47526 relates to the homology model of PLK and to the use thereof in assays for the identification of small molecules PLK modulators. PCT application 2005/2147 discloses the homology model for CDK4 and use thereof in assays for the identification of small molecule CDK 4 modulators. PCT application 1998/56812 discloses the Homology model for ER β receptor. A number of compounds have been described in literature that show preferential binding to GSK3-Beta. However, to date there has been no significant progress in determining the structural features required for selectivity towards GSK3-α. A major reason for this lack of insight has been the paucity of structural information for this isoform. In contrast, there is a plethora of structural data for GSK3-Beta as it has been crystallised in many forms including in complex with natural ligands as inhibitor complexes with the monomeric and activated forms. There is therefore tremendous scope for further development of new modulators of GSK3-Alpha family.

SUMMARY OF THE INVENTION

Systems and methods for building a three-dimensional homology model/structure of Glycogen Synthase Kinase 3-Alpha (GSK-3 Alpha) or its variants are described. The 3-D structure thus constructed is defined by at least a portion of the structure co-ordinates shown in Table 1. Methods to screen modulators for modulating the activity of GSK-3 Alpha using the structure coordinates of the model are also described. To screen a modulator of GSK3-α or its variant, the modulator is identified by using at least a portion of the structure co-ordinates shown in Table 1. The identified modulator is contacted with GSK3-α or its variant and the modulating activity of the identified modulator is determined.

BRIEF DESCRIPTION OF DRAWINGS

FIG. 1: Flow chart representation of homology modeling process.

FIG. 2: Illustrates the GSK3-Alpha homology model structure.

FIG. 3: Flow chart representation of the docking process.

FIG. 4: Depicts the docking pose of GSK3-Alpha.

DETAILED DESCRIPTION OF THE INVENTION

The present invention relates to a three-dimensional model/structure of Glycogen Synthase Kinase 3-Alpha (GSK3-Alpha) or a variant thereof for screening a modulator that modulates the activity of GSK3-Alpha.

DEFINITIONS AND ABBREVIATIONS

The Glycogen Synthase Kinase 3-Alpha is herein after referred to as “GSK3-Alpha”. The GSK3-Alpha described is intended to include any polypeptide, which has the activity of the naturally occurring GSK3-Alpha and includes all vertebrate and mammalian forms. Such terms also include polypeptides that differ from naturally occurring forms of GSK3-Alpha by having amino acid deletions, substitutions, and additions, but which retain the activity of GSK3-Alpha.

The terms “model” and “structure” are used interchangeable hereinafter.

The amino acid sequence of GSK3-Alpha is shown in SEQ ID NO: 1. The amino acid sequence of GSK3-Beta is shown in SEQ ID NO: 2.

A fragment, a homologue, a variant, a mutant, or a derivative of GSK3-Alpha or a naturally occurring polypeptide or nucleotide sequences which differs from a wild-type or a native sequence is herein after referred to as “variant” of GSK3-Alpha. The term variant also encompasses amino acid sequence comprising at least 50%, more preferably at least 65%, more preferably at least 80%, most preferably at least 90% of the wild-type sequence.

The term “fragment” indicates that a polypeptide or nucleotide sequence comprises a fraction of a wild-type or a native sequence. It may comprise one or more large contiguous sections of sequence or a plurality of small sections.

The term “homologue” refers to an entity that shares a certain homology with amino acid sequences or nucleotide sequences of GSK3-Alpha. Here, the term “homology” can be equated with “identity”. In the present context, a homologous sequence is taken to include an amino acid sequence which may be at least 70, 80 or 90% identical, to the subject sequence. Although homology can also be considered in terms of similarity (i.e. amino acid residues having similar chemical properties/functions), it is preferred to express homology in terms of sequence identity. An homologous sequence is taken to include a nucleotide sequence which may be at least 70, 80 or 90% identical, to the subject sequence. Homology comparisons can be conducted by eye, or more usually, with the aid of readily available sequence comparison programs. These commercially available computer programs can calculate % homology between two or more sequences. % homology may be calculated over contiguous sequences, i.e. one sequence is aligned with the other sequence and each amino acid in one sequence is directly compared with the corresponding amino acid in the other sequence, one residue at a time. This is called an “ungapped” alignment. Typically, such ungapped alignments are performed only over a relatively short number of residues.

The term “derivative” or “derivatised” herein after includes chemical modification of an entity, such as candidate compound or a GSK3-Alpha modulator.

The compounds that are can affect the activity of GSK-3 Alpha by preventing, suppressing, inhibiting, alleviating, restorating, elevating, increasing or otherwise is herein after referred to as modulator(s). The GSK3-Alpha modulator may be an antagonist or an agonist of GSK3-Alpha.

The term “agonist” means any entity, which is capable of interacting (eg. binding) with GSK3-Alpha and which is capable of increasing a proportion of the GSK-3 Alpha that is in an active form, resulting in an increased biological response.

The term “antagonist” means any entity, which is capable of interacting (eg. binding) with GSK3-Alpha and which is capable of decreasing (eg. inhibiting) a proportion of the GSK3-Alpha that is in an active form, resulting in a decreased biological response.

The term “amino acid sequence” as herein after is synonymous with the term “polypeptide” and/or the term “protein”. In some instances, the term “amino acid sequence” is synonymous with the term “peptide”.

An embodiment of the present invention relates to said three-dimensional model structure of GSK3-α or a variant thereof for screening a modulator that modulates the activity of GSK3-Alpha by using at least a portion of structure co-ordinates as shown in Table 1.

Another embodiment of the present invention relates to said three-dimensional model structure of GSK3-Alpha or a variant thereof wherein GSK3-Alpha comprises the amino acid sequence set forth in SEQ ID NO: 1.

Another embodiment of the present invention relates to said three-dimensional model structure, wherein said structure co-ordinate comprises a ligand binding domain defined by amino acid residue selected from VAL 49, ASP 106, GLU 39, GLN 91, ASN 92, LYS 89 and combinations thereof.

Another embodiment of the present invention relates to a computer assisted system for producing a three-dimensional structure of GSK3-Alpha or a variant thereof which comprises: a computer readable data storage medium comprising a data storage material encoded with computer readable data, wherein said data comprises at least a portion of the structure co-ordinates of Table 1; a working memory for storing instructions for processing said computer readable data; a central processing unit coupled to said computer readable data storage medium and said working memory for processing said computer readable data into said three-dimensional structure; and a display coupled to said central processing unit for displaying said three-dimensional structure.

Another embodiment of the present invention relates to a method of generating said three dimensional structure of GSK3-Alpha or a variant thereof by employing said computer assisted system.

Another embodiment of the present invention relates to a method of designing a modulator that modulates the activity of GSK3-Alpha or a variant thereof, wherein said method comprises: providing at least a portion of the structure co-ordinates of Table 1; employing said structure co-ordinates to design a modulator of GSK3-Alpha or a variant thereof; contacting said modulator with GSK3-α or variant to determine the modulating activity of said modulator.

Another embodiment of the present invention relates to said method of designing a modulator, wherein said structure co-ordinate comprises a ligand binding domain defined by amino acid residue selected from VAL 49, ASP 106, GLU 39, GLN 91, ASN 92, LYS 89 and combinations thereof.

Another embodiment of the present invention relates to a method of screening a modulator for modulating the activity of GSK3-Alpha or a variant thereof comprising the following: providing at least a portion of the structure co-ordinates of Table 1; employing said structure co-ordinates to identify a modulator of GSK3-Alpha or variant; contacting said modulator with GSK3-α or variant, and determining the modulating activity of said modulator. GSK3-α comprises the amino acid sequence set forth in SEQ ID NO: 1.

Another embodiment of the present invention relates to a method of screening a modulator for modulating the activity of GSK3-Alpha or a variant thereof, wherein said structure co-ordinate comprises a ligand binding domain defined by amino acid residue selected from VAL 49, ASP 106, GLU 39, GLN 91, ASN 92, LYS 89 and combinations thereof.

Another embodiment of the present invention relates to a method of screening a modulator for modulating the activity of GSK3-Alpha or a variant thereof, wherein the modulator inhibits GSK3-α activity. The steps prior to screening of the modulator that modulates the activity of GSK3-Alpha includes designing, selecting and synthesizing of the modulators

Another embodiment of the present invention relates to a method of screening a modulator for modulating the activity of GSK3-Alpha or a variant thereof, wherein the modulator is associated with preventing and/or treating GSK3-Alpha related diseases selected from HIV/AIDS, angiogenesis, breast cancer, colon cancer, type II diabetes, glioblastoma, pancreatic cancer, xaelanoma, prostrate cancer, and schizophrenia.

Another embodiment of the present invention relates to the use of the three-dimensional structure for designing, selecting and synthesizing a modulator that modulates the activity of GSK3-Alpha.

Another embodiment of the present invention relates to the use of a computer assisted system for producing a three-dimensional structure of GSK3-Alpha or a variant thereof for screening a modulator that modulates the activity of GSK3-Alpha.

Another embodiment of the present invention relates to the use of a computer assisted system for producing a three-dimensional structure of GSK3-Alpha or a variant thereof for designing, selecting and synthesizing a modulator that modulates the activity of GSK3-Alpha.

Another embodiment of the present invention relates to a compound for modulating the activity of GSK3-Alpha or a variant thereof by using the method of screening of modulators of GSK3-Alpha or a variant thereof.

Another embodiment of the present invention relates to the use of the three-dimensional structure of GSK3-Alpha or a variant thereof to determine the structure of the crystalline form of a protein with significant amino acid sequence homology to any functional domain of GSK3 Alpha.

Another embodiment of the present invention relates to the use of the three-dimensional model structure of GSK3-Alpha or a variant thereof, wherein the structure of the crystalline form of a protein with significant amino acid sequence homology to any functional domain of GSK3 Alpha is determined using molecular replacement.

Further, the present invention relates to a three-dimensional model structure that is used in conjunction with automated flexible docking methods to generate a set of binding hypotheses for the ligand-GSK3-Alpha complexes of a number of modulators. Based on analysis of the sequence and residues lining the ATP binding pocket, the specific residues and side chains which differ in the GSK3-Alpha structure were determined and the interactions that could be exploited in the design of selective compounds were identified. This information could be used in two ways, both in the enhancement of GSK3-Alpha selectivity and in the engineering of modulators with greater binding specificity for GSK3-Alpha.

In one particularly preferred embodiment, the GSK3-Alpha modulator or candidate compound of the invention has an ionizable functional group capable of forming associations with the amino acid residues corresponding to GSK3-Alpha amino acid residues V41, D106, E39, Q91, N92, K89 of GSK3-Alpha. More preferably still, the ionizable functional group is a group which is positively charged at physiological pH. Even more preferably, the ionizable functional group is an NH group which is positively charged at physiological pH.

In one preferred embodiment, the GSK3-Alpha modulator or candidate compound of the invention comprises a functional group capable of forming a hydrogen bond with the amino acid residue corresponding to V41, D106, E39, Q91, N92, K89.

In one preferred embodiment, the GSK3-Alpha modulator or candidate compound of the invention comprises a group which is capable of steric interaction with the amino acid residues corresponding to V41, D106, E39, Q91, N92, K89 of the ATP binding site of GSK3-Beta.

In a preferred embodiment, the GSK3-Alpha modulator or candidate compound of the invention is an irreversible antagonist.

By way of example, the structure co-ordinates of Table 1 may be used to design compounds that bind to GSK3-Alpha and may alter the physical properties of the compounds (eg. solubility) or GSK3-Alpha itself. This invention may be used to design compounds that act as modulators, such as competitive inhibitors-of GSK3-Alpha by binding to all or a portion of the active site of GSK3-Alpha. Compounds may also be designed that act as non-competitive inhibitors of GSK3-Alpha. These non-competitive inhibitors may bind to all or a portion of GSK3-Alpha already bound to its substrate and may be more potent and specific than known GSK3-Alpha inhibitors that compete only for the GSK3-Alpha active site. Similarly, non-competitive inhibitors that bind to and inhibit GSK3-Alpha whether or not it is bound to another chemical entity may be designed using the structure co-ordinates of GSK3-Alpha described herein.

The present invention also allows the development of compounds or its isomers that can act as reaction intermediates in a chemical reaction of a substrate that binds to GSK3-Alpha. Thus, the time-dependent analysis of structural changes in GSK-3 Alpha during its interaction with other molecules may be performed. The reaction intermediates of GSK3-Alpha may also be deduced from the reaction product in co-complex with GSK3-Alpha. Such information is especially useful to design improved analogues of known GSK3-Alpha modulators or to design new GSK3-Alpha modulators based on the reaction intermediates of the GSK3-Alpha enzyme and GSK3-Alpha-modulator complex. This provides a new route for designing GSK3-Alpha modulators with high specificity and stability. Preferably, this provides a new route for designing GSK3-Alpha modulators with high specificity, high stability and low toxicity.

Small molecule databases for modulators or candidate compounds may be screened for chemical entities that can bind in whole, or; in part, to GSK3-Alpha. Thus, in a preferred embodiment, the GSK3-Alpha modulators form a library of compounds or a database. In this screening, the quality of fit of such entities or compounds to the binding site may be judged by various methods-such as shape complementarity or estimated interaction energy (Meng, E. C. et al., J. Comp. Chem., 13, pp. 505-524 (1992)).

The structure co-ordinates of Table 1, or portions thereof, may also be useful in solving the structure of crystal forms of GSK3-Alpha. They may also be used to solve the structure of variants of GSK3-Alpha or GSK3-Alpha complexes.

Preferably, the structure co-ordinates of Table 1 are used to solve the structure of the crystalline form of proteins having significant amino acid sequence homology to any functional domain of GSK3-Alpha.

The structure co-ordinates of the homology model of the present invention may also facilitate the identification of related proteins or enzymes analogous to GSK3-Alpha in function, structure or both, thereby further leading to novel therapeutic modes for treating or preventing GSK3-Alpha related diseases.

The design of compounds that bind to or modulate GSK3-Alpha according to the present invention involves consideration of two factors. Firstly, the compound must be capable of physically and structurally associating with GSK3-Alpha. Non-covalent molecular interactions important in the association of GSK3-Alpha with its substrate may include hydrogen bonding, van der Waals and hydrophobic interactions. Secondly, the compound must be able to assume a conformation that allows it to associate with GSK-3Alpha. Although certain portions of the compound may not directly participate in the association with GSK3-Alpha, those portions may still influence the overall conformation of the molecule. This will have a significant impact on the activity. Such conformational requirements include the overall three-dimensional structure and orientation of the chemical entity or compound in relation to all or a portion of a binding site of GSK-3Alpha, or the spacing between functional groups of a compound comprising several chemical entities that directly interact with GSK3-Alpha.

The potential modulating or binding effect of a chemical compound on GSK3-Alpha may be analyzed prior to its actual synthesis and testing by the use of computer modeling techniques. If the theoretical structure of the given compound suggests insufficient interaction and association with GSK3-Alpha, then synthesis and testing of the compound may be obviated. However, if computer modeling indicates a strong interaction, the molecule may be synthesized and tested for its ability to bind to GSK3-Alpha and modulate the activity of GSK3-Alpha (e.g. inhibit) using the fluorescent substrate assay of Thornberry et al. (2000) Methods.

The modulator of GSK3-Alpha may be an organic compound or a biochemical compound or any other chemical compound. The modulator of GSK3-Alpha may be a compound, which is obtainable from or produced by any suitable source, whether natural or artificial. The modulator of GSK3-Alpha may be an amino acid molecule, a polypeptide, or a chemical derivative thereof, or a combination thereof. The modulator of GSK3-Alpha may even be a polynucleotide molecule, which can be a sense or an anti-sense molecule. The modulator of GSK3-Alpha may even be an antibody.

The modulator of GSK3-Alpha may be designed or obtained from a library of compounds, which may comprise peptides, as well as other compounds, such as small organic molecules.

By way of example, the modulator of GSK3-Alpha may be a natural substance, a biological macromolecule, or an extract made from biological materials such as bacteria, fungi, or animal (particularly mammalian) cells or tissues, an organic or an inorganic molecule, a synthetic agent, a semi-synthetic agent, a structural or functional mimetic, a peptide, a peptidomimetic, a derivatised agent, a peptide cleaved from a whole protein, or a peptide synthesized synthetically (such as, by way of example, either using a peptide synthesizer or by recombinant techniques or combinations thereof, a recombinant agent, an antibody, a natural or a non-natural agent, a fusion protein or equivalent thereof and mutants, derivatives or combinations thereof).

In case the modulator of GSK3-Alpha is an organic compound, the organic compound will comprise two or more hydrocarbyl groups. Here, the term “hydrocarbyl group” means a group comprising at least C and H and may optionally comprise one or more other suitable substituents. Examples of such substituents may include halo-, alkoxy-, nitro-, an alkyl group, a cyclic group etc. In addition to the possibility of the substituents being a cyclic group, a combination of substituents may form a cyclic group. If the hydrocarbyl group comprises more than one C, then those carbons need not necessarily be linked to each other. For example, at least two of the carbons may be linked via a suitable element or group. Thus, the hydrocarbyl group may contain hetero atoms. Some of the examples of suitable hetero atoms are sulphur, nitrogen and oxygen. For some applications, preferably the modulator of GSK3-Alpha comprises at least one cyclic group. The cyclic group may be a polycyclic group, such as a non-fused polycyclic group. For some applications, the modulator of GSK3-Alpha comprises at least one of said cyclic groups linked to another hydrocarbyl group.

The modulator of GSK3-Alpha which modulates the activity of GSK3-Alpha can be agonist or antagonist in nature.

The term “agonist” means any entity, which is capable of interacting (eg. binding) with GSK3-Alpha and which is capable of increasing a proportion of the GSK-3 Alpha that is in an active form, resulting in an increased biological response.

The term “antagonist” means any entity, which is capable of interacting (eg. binding) with GSK3-Alpha and which is capable of decreasing (eg. inhibiting) a proportion of the GSK3-Alpha that is in an active form, resulting in a decreased biological response.

The modulator of GSK3-Alpha may contain halo groups, for example, fluoro, chloro, bromo or iodo groups, or one or more of alkyl, alkoxy, alkenyl, alkylene and alkenylene groups, each of which may be branched or unbranched.

The modulator of GSK3-Alpha is a structurally novel modulator of GSK3-Alpha, or an analogue of a known modulator of GSK3-Alpha.

The modulator of GSK3-Alpha may be a mimetic, or may be chemically modified. The modulator of GSK3-Alpha may be capable of displaying various therapeutic properties.

The modulator of GSK3-Alpha may be used in combination with one or more other pharmaceutically active agents. If combinations of active agents are administered, then they may be administered simultaneously, separately or sequentially.

Percentage Homology Calculation and Substituents

The % homology calculation of a protein is a very simple and consistent method, but it fails to take into consideration factors such as in an otherwise identical pair, of sequences, one insertion or deletion that will cause the following amino acid residues to be put out of alignment, thus potentially resulting in a large reduction in % homology when a global alignment is performed.

Consequently, most sequence comparison methods are designed to produce optimal alignments that take into consideration possible insertions and deletions without penalizing unduly the overall homology score. This is achieved by inserting “gaps” in the sequence alignment to try to maximise local homology.

However, these more complex methods assign “gap penalties” to each gap that occurs in the alignment so that, for the same number of identical amino acids, a sequence alignment with as few gaps as possible-reflecting higher relatedness between the two compared sequences-will achieve a higher score than one with many gaps; “Affine gap costs” are typically used when relatively high cost is charged for the existence of a gap and a smaller penalty for each subsequent residue in the gap. This is the most commonly used gap scoring system. High gap penalties will of course produce optimised alignments with fewer gaps. Most alignment programs allow the gap penalties to be modified. However, it is preferred to use the default values when using such software for sequence comparisons. For example, when using the Clustal W package the default gap penalty for amino acid sequences is 10 for a gap and 0.2 for each extension and End Gap as −1 with GONNET matrix.

Calculation of maximum % homology therefore firstly requires the production of an optimal alignment, taking into consideration gap penalties. A suitable computer program for carrying out such an alignment is the Clustal W (Ref: www.ebi.ac.uk/clustalw) package. Examples of other software than can perform sequence comparisons include, but are not limited to, the BLAST package (see Ausubel et al., 1999 ibid-Chapter18), FASTA (Altschul et al., 1990, J. Mol. Biol., 403-410) and the GENEWORKS suite of comparison tools. Both BLAST and FASTA are available for offline and online searching (see Ausubel et al., 1999 ibid, pages 7-58 to 7-60). A new tool, called BLAST 2 Sequences is also available for comparing protein and nucleotide sequence (see FEMS Microbiol Lett 1999 174 (2): 247-50; FEMS Microbiol Lett 1999 177(1): 187-8).

Although the final % homology can be measured in terms of identity, the alignment process itself is typically not based on an all-or-nothing pair comparison. Instead, a scaled similarity score matrix is generally used that assigns scores to each pair wise comparison based on chemical similarity or evolutionary distance. An example of such a matrix commonly used is the GONNET matrix—the default matrix for the Clustal W suite of programs. Clustal W programs generally use either the public default values or a custom symbol comparison table if supplied (see user manual for further details). For some applications, it is preferred to use the public default values for the Clustal W, or in the case of other software, the default matrix, such as GONNET.

Once the software has produced an optimal alignment, it is possible to calculate % homology, preferably % sequence identity. The software typically does this as part of the sequence comparison and generates a numerical result.

The amino acid sequence of GSK3-Alpha may be isolated from a suitable source, or it may be made synthetically or it may be prepared by use of recombinant DNA techniques. The amino acid sequence of GSK3-Alpha is shown in SEQ ID NO: 1. The three dimensional structure of GSK3-Alpha or variant thereof is constructed using at least a portion of the structure co-ordinates provided in Table 1. The variant of GSK3-Alpha encompasses of a fragment, a homologue, a variant, a mutant, or a derivative of GSK3-Alpha or a naturally occurring polypeptide or nucleotide sequences which differ from a wild-type or a native sequence of GSK3-Alpha as shown in SEQ ID NO: 1. The term variant also encompasses amino acid sequence comprising at least 50%, more preferably at least 65%, more preferably at least 80%, most preferably at least 90% of the wild-type sequence.

The term “fragment” indicates that a polypeptide or nucleotide sequence comprises a fraction of a wild-type or a native sequence. It may comprise one or more large contiguous sections of sequence or a plurality of small sections.

The term “homologue” refers to an entity that shares a certain homology with amino acid sequences or nucleotide sequences of GSK3-Alpha. Here, the term “homology” can be equated with “identity”. In the present context, a homologous sequence is taken to include an amino acid sequence which may be at least 70, 80 or 90% identical, to the subject sequence. Although homology can also be considered in terms of similarity (i.e. amino acid residues having similar chemical properties/functions), it is preferred to express homology in terms of sequence identity.

An homologous sequence is taken to include a nucleotide sequence which may be at least 70, 80 or 90% identical, to the subject sequence.

The term “derivative” or “derivatised” herein after includes chemical modification of an entity, such as candidate compound or a GSK3-Alpha modulator.

The amino acid sequences may also have deletions, insertions or substitutions of amino acid residues, which produce a silent change and result in a functionally equivalent substance. Deliberate amino acid substitutions may be made on the basis of similarity in polarity, charge, solubility, hydrophobicity, hydrophilicity, and/or the amphipathic nature of the residues as long as the secondary binding activity of the substance is retained. For example, negatively charged amino acids include aspartic acid and glutamic acid; positively charged amino acids include lysine and arginine; and amino acids with uncharged polar head groups having similar hydrophilicity values include leucine, isoleucine, valine, glycine, alanine, asparagine, glutamine, serine, threonine, phenylalanine, and tyrosine.

Conservative substitutions may be made, for example according to the Table 2 given below. Amino acids in the same block in the second column and preferably in the same line in the third column may be substituted for each other.

Homologous substitution (substitution and replacement are both used herein to mean the interchange of an existing amino acid residue, with an alternative residue) may occur i.e. like-for-like substitution such as basic for basic, acidic for acidic, polar for polar etc. Non-homologous substitution may also occur i.e. from one class of residue to another or alternatively involving the inclusion of unnatural amino acids such as ornithine (hereinafter referred to as Z), diaminobutyric acid ornithine (hereinafter referred to as B), norleucine ornithine (hereinafter referred to as O), pyriylalanine, thienylalanine, naphthylalanine and phenylglycine.

Replacements may also be made by unnatural, amino acids include; alpha* and alpha-disubstituted* amino acids, N-alkyl amino acids*, lactic acid*, halide derivatives of natural amino acids such as trifluorotyrosine*, p-Cl-phenylalanine*, p-Br-phenylalanine*, p-I-phenylalanine*, L-allyl-glycine*, 3-alanine*, L-α-amino butyric acid*, L-γ-aminobutyric acid*, L-α-amino isobutyric acid*, L-s-amino caproic acid #, 7-amino heptanoic acid*, L-methionine sulfone#, L-norleucine*, L-norvaline*, p-nitro-L-phenylalanine*, L-hydroxyproline#, L-thioproline*, methyl derivatives of phenylalanine (Phe) such as 4-methyl-Phe*, pentamethyl-Phe*, L-Phe (4-amino)#, L-Tyr (methyl)*, L-Phe (4-isopropyl)*, L-Tic (1,2,3,4-tetrahydroisoquinoline-3-carboxyl acid)*, L-diaminopropionic acid* and L-Phe (4-benzyl)*. The notation * has been used for the purpose of the discussion above (relating to homologous or non-homologous substitution), to indicate the hydrophobic nature of the derivative. The notation # has been used to indicate the hydrophilic nature of the derivative and #* indicates amphipathic characteristics.

Illustrative of chemical modifications/derivatives would be replacement of hydrogen by a halo group, an alkyl group, an acyl group or an amino group. Variant amino acid sequences may include suitable spacer groups that may be inserted between any two amino acid residues of the sequence including alkyl groups such as methyl, ethyl or propyl groups in addition to amino acid spacers such as glycine or β-alanine residues. A further form of variation, involves the presence of one or more amino acid residues in peptoid form.

The term “peptoid form” is used to refer to variant amino acid residues wherein the a-carbon substituent group is on the residue's nitrogen atom rather than the a-carbon. Processes for preparing peptides in the peptoid form are known in the art, for example Simon R J et al., PNAS (1992)89 (20), 9367-9371 and Horwell D C, Trends Biotechnol. (1995) 13 (4), 132-134.

Homology Model Construction

The homology model for GSK3-Alpha was generated using the program module Prime within the Schrodinger Discovery Suite (Schrodinger Inc, NY, USA). The flow chart for homology modeling approach is shown in FIG. 1.

At block 105, the GSK3-Alpha sequence (SEQ ID No. 1) was given as the input sequence. At block 110, a sequence homology search was conducted to identify templates having sequence homology greater than 40%. A template having greatest sequence homology amongst the identified templates was selected for model construction. For the present model construction, the GSK-3 Beta structure was used as template. At block 115, the GSK3-Alpha was subjected to modeling based on the selected template (GSK-3 Beta) using the program module Prime. At block 120, sequence alignment of GSK3-Alpha with the selected template was performed using the PAM 120 multiple scoring matrix with a dimension block of 0.6 and a significance p value of 0.0001. The strategy involved using the selected template to define the structurally conserved regions (SCR's) from which the coordinates were subsequently transferred to build the structure at block 125. This was then followed by loop construction at block 135, where the non-SCR's were generated from the selected template and additionally by de-novo building and subsequent evaluation of the most realistic coordinates (in terms of energetic of the loop itself and the exclusion of loops leading to overlapping atoms). After loop building was completed for missing coordinates, the raw coordinates were refined using successive rounds of end repair and energy minimization (500 steps of OPLS 2005) at block 140. The model was then completed through using a further minimization. 1 ps molecular dynamics was used to fully explore the conformational space of the loop regions. At block 145, the final model structure was checked against databases of protein structures for bond length and dihedral angle violations using Ramachandran plot. If the Ramachandran plot was not found to be within acceptable ranges, then further refinement was carried out at block 150. Finally, at block 155, a model was built using the acceptable structure. The output of the final modeled structure was obtained in PDB format.

In case any sequence of homology greater than 40% is not identified from the sequence homology search at block 110, an alternate method of modeling by threading methodology is used at block 130 to build a model. Here the different parts of the proteins are taken from the fold libraries and the model is built. This model is also further refined by energy minimization and using Ramachandran plot as before.

For the final model structure for GSK3-Alpha built based on the selected template, the results indicated that bond length and dihedral angle violations as a whole were within acceptable limits with greater than 80% of residues having phi-psi plots with the allowed region in Ramachandran space. The final model structure that was built had the structure coordinates given in table 1. The final structure is shown in FIG. 2. The binding region or active site 201 is just above the activation loop site 205.

Molecular Modeling of GSK-3Alpha Modulator

The structure coordinates of the ternary complex of GSK3-Beta were obtained from the RCSB (accession code 1J1B). GSK-3Alpha inhibitors were then docked into the ATP site of the GSK-3 Beta or the GSK-3 Alpha model structure using the Glide program (Schrodinger Inc, NY, USA). The flow chart of the docking protocol is described in FIG. 3.

The GSK3 Alpha was given as an input molecule at 305 and the binding site was defined as an 8A radius from the centre of a ligand binding mode. The calculation was performed using the OPLS force field in a two-step process using an implicitly derived solvation model and geometric H-bond restraints. The refinement phase involved conformational sampling using molecular dynamics calculated over 5 ps in 100 fs stages, where the temperature was at 300 K. The Ligand was prepared at 310 by the Ligprep module of the Schrodinger discovery suite where around five conformations were generated. The modeled protein is subjected to protein preparation under protein refinement method at 320. These conformations were subjected to XP docking protocol of Glide without any constraints at 315. The docked pose was then analyzed at 325.

This molecular docking routine incorporates a full molecular mechanics approach and allows for flexibility both in the ligand and in the side chains and backbone of the receptor (the positions of the alpha carbon atoms were fixed during the simulation). The specificity analysis can be evident in the docking studies that were carried out using Glide module of Schrodinger Discovery suite and are discussed below.

For example, the highly active compound 4-(7-Butyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)-phenol was docked to analyze the interaction. It was identified that L35, V36.L37 residues form a hydrophobic surface in the structure of GSK3Alpha which is depicted in FIG. 4. Cyclopentyl moiety of the modulator interacts with this hydrophobic core of the ligand binding site at 401. D106 is in the solvent polar region amino functionality of the fused heterocyclic ring interacts with D106 at 405. The molecule was docked near the activation loop at 407. This figure exhibits the binding of the known active ligand for GSK3-Alpha in its active site. This validates the utility of the built in model.

Structural Specificity of GSK-3 Alpha Modulator

The coordinate of the model given in PDB format enables the visualization of the structure in relation to its 3D space. The various pockets/cavities were analyzed and the active site was identified by superimposition of the GSK3-Alpha specific ligand to the structure. The interacting residues were identified and the neighboring residues were analyzed for specificity details. The model built for GSK3-Alpha was superimposed onto the GSK-3 Beta structure and the differences of the pockets were analyzed.

It was found that the alpha isoform active site consists of the residues Val 41, Asp 106, Glu 39, Gln 91, Asn 92 and Lys 89. For validating the results the GSK3-Alpha active molecule was docked to the Alpha structure. Glide docking protocol was used to dock the active molecules as shown in FIG. 3 and discussed earlier. To validate the model for specificity against GSK3-Beta isoform, some highly active GSK3-Beta compounds we docked to the structure. The docking of the beta active inhibitor and alpha active inhibitor exhibited a glide score of −8.97 and −6.78 respectively as given in Table 3 and Table 4.

The model in its 3D structure exhibits many pockets which can be identified visual inspection and the active site was identified as described earlier. The active site residues are identified and analyzed. Using this information various method can be employed to design modulators to inhibit or modulate the activity of GSK3-Alpha. For example, when the residues comprising the ATP cleft of both GSK3-Beta and GSK3-Alpha are compared, a key difference is found in the residue, E39. However, as this residue provides contacts through the backbone, they would not be expected to impact inhibitor binding significantly. E39 has a strong hydrogen bonding interaction with the phenolic hydroxyl group of the inhibitor in the predicted binding mode. E39 is a specific conserved residue in GSK3-Alpha and a strong hydrogen bonding with this residue would potentially help in enhancing the specificity towards GSK3-Alpha.

Further, the residue GLU39 in place of ASP in the same place in the Beta isoform is the key residue for specificity. Moreover, the distance differences between the residues can be used to design pharmacophore based hypothesis. Various known Alpha isoform specific modulators can be docked and analyzed and from the gathered information new scaffolds can be designed as modulators for GSK3-Alpha. Based on the designed scaffolds various focused combinatorial libraries can be designed and generated for synthesis and analyzed. In the process new hit compounds can be identified as potential modulators for GSK3-Alpha.

The GSK-3 Alpha model in its 3D structure exhibits many pockets which can be identified by visual inspection and the active site can be identified as described earlier. The active site residues are thus identified and analyzed. Using this information various method can be employed to design modulators to inhibit GSK3-Alpha. The residue GLU39 in place of ASP in the same place in its beta isoform is the key residue for specificity. Moreover, the distance differences between the residues can be used to design pharmacophore based hypothesis. Various known alpha isoform specific inhibitor can be docked and analyzed and from the gathered information new scaffolds can be designed as modulators for GSK3-Alpha. Based on the designed scaffolds various focused combinatorial libraries can be designed and generated for synthesis and analyzed. In the process new hit compounds can be identified as potential modulators for GSK3-Alpha.

TABLE 1 Structure co-ordinates of GSK-3Alpha ATOM 619 N LEU A 36 10.626 21.403 −9.076 1.00 0.00 N ATOM 620 CA LEU A 36 10.985 20.939 −7.738 1.00 0.00 C ATOM 621 C LEU A 36 12.116 21.798 −7.181 1.00 0.00 C ATOM 622 O LEU A 36 13.222 21.808 −7.733 1.00 0.00 O ATOM 623 CB LEU A 36 11.431 19.475 −7.783 1.00 0.00 C ATOM 624 CG LEU A 36 11.813 18.826 −6.425 1.00 0.00 C ATOM 625 CD1 LEU A 36 10.687 18.904 −5.378 1.00 0.00 C ATOM 626 CD2 LEU A 36 12.243 17.365 −6.632 1.00 0.00 C ATOM 627 H LEU A 36 11.198 21.103 −9.851 1.00 0.00 H ATOM 628 HA LEU A 36 10.133 21.003 −7.057 1.00 0.00 H ATOM 629 1HB LEU A 36 10.626 18.889 −8.228 1.00 0.00 H ATOM 630 2HB LEU A 36 12.275 19.376 −8.469 1.00 0.00 H ATOM 631 HG LEU A 36 12.678 19.351 −6.017 1.00 0.00 H ATOM 632 1HD1 LEU A 36 10.977 18.400 −4.456 1.00 0.00 H ATOM 633 2HD1 LEU A 36 10.454 19.932 −5.102 1.00 0.00 H ATOM 634 3HD1 LEU A 36 9.771 18.436 −5.739 1.00 0.00 H ATOM 635 1HD2 LEU A 36 12.560 16.907 −5.695 1.00 0.00 H ATOM 636 2HD2 LEU A 36 11.428 16.762 −7.035 1.00 0.00 H ATOM 637 3HD2 LEU A 36 13.082 17.295 −7.326 1.00 0.00 H ATOM 638 N VAL A 37 11.840 22.528 −6.102 1.00 0.00 N ATOM 639 CA VAL A 37 12.854 23.380 −5.487 1.00 0.00 C ATOM 640 C VAL A 37 13.508 22.597 −4.357 1.00 0.00 C ATOM 641 O VAL A 37 12.891 22.332 −3.322 1.00 0.00 O ATOM 642 CB VAL A 37 12.254 24.686 −4.931 1.00 0.00 C ATOM 643 CG1 VAL A 37 13.326 25.661 −4.400 1.00 0.00 C ATOM 644 CG2 VAL A 37 11.389 25.395 −5.996 1.00 0.00 C ATOM 645 H VAL A 37 10.946 22.441 −5.631 1.00 0.00 H ATOM 646 HA VAL A 37 13.617 23.663 −6.216 1.00 0.00 H ATOM 647 HB VAL A 37 11.608 24.415 −4.113 1.00 0.00 H ATOM 648 1HG1 VAL A 37 12.880 26.589 −4.043 1.00 0.00 H ATOM 649 2HG1 VAL A 37 13.886 25.239 −3.565 1.00 0.00 H ATOM 650 3HG1 VAL A 37 14.043 25.924 −5.179 1.00 0.00 H ATOM 651 1HG2 VAL A 37 10.984 26.336 −5.632 1.00 0.00 H ATOM 652 2HG2 VAL A 37 11.974 25.615 −6.889 1.00 0.00 H ATOM 653 3HG2 VAL A 37 10.537 24.786 −6.301 1.00 0.00 H ATOM 654 N LEU A 38 14.769 22.232 −4.569 1.00 0.00 N ATOM 655 CA LEU A 38 15.513 21.441 −3.604 1.00 0.00 C ATOM 656 C LEU A 38 16.692 22.176 −3.005 1.00 0.00 C ATOM 657 O LEU A 38 17.122 23.209 −3.511 1.00 0.00 O ATOM 658 CB LEU A 38 16.032 20.163 −4.272 1.00 0.00 C ATOM 659 CG LEU A 38 15.978 18.888 −3.405 1.00 0.00 C ATOM 660 CD1 LEU A 38 14.540 18.361 −3.247 1.00 0.00 C ATOM 661 CD2 LEU A 38 16.878 17.792 −3.989 1.00 0.00 C ATOM 662 H LEU A 38 15.243 22.519 −5.412 1.00 0.00 H ATOM 663 HA LEU A 38 14.876 21.129 −2.774 1.00 0.00 H ATOM 664 1HB LEU A 38 15.462 19.963 −5.181 1.00 0.00 H ATOM 665 2HB LEU A 38 17.053 20.316 −4.631 1.00 0.00 H ATOM 666 HG LEU A 38 16.381 19.121 −2.423 1.00 0.00 H ATOM 667 1HD1 LEU A 38 14.522 17.432 −2.677 1.00 0.00 H ATOM 668 2HD1 LEU A 38 13.895 19.072 −2.732 1.00 0.00 H ATOM 669 3HD1 LEU A 38 14.088 18.151 −4.217 1.00 0.00 H ATOM 670 1HD2 LEU A 38 16.871 16.898 −3.364 1.00 0.00 H ATOM 671 2HD2 LEU A 38 16.552 17.502 −4.988 1.00 0.00 H ATOM 672 3HD2 LEU A 38 17.914 18.126 −4.060 1.00 0.00 H ATOM 673 N GLU A 39 17.211 21.631 −1.912 1.00 0.00 N ATOM 674 CA GLU A 39 18.395 22.202 −1.280 1.00 0.00 C ATOM 675 C GLU A 39 19.505 22.015 −2.307 1.00 0.00 C ATOM 676 O GLU A 39 19.567 20.976 −2.977 1.00 0.00 O ATOM 677 CB GLU A 39 18.764 21.417 −0.027 1.00 0.00 C ATOM 678 CG GLU A 39 20.113 21.752 0.666 1.00 0.00 C ATOM 679 CD GLU A 39 20.481 20.711 1.711 1.00 0.00 C ATOM 680 OE1 GLU A 39 20.109 19.535 1.537 1.00 0.00 O ATOM 681 OE2 GLU A 39 21.053 21.053 2.763 1.00 0.00 O ATOM 682 H GLU A 39 16.846 20.761 −1.563 1.00 0.00 H ATOM 683 HA GLU A 39 18.221 23.258 −1.063 1.00 0.00 H ATOM 684 1HB GLU A 39 17.965 21.530 0.701 1.00 0.00 H ATOM 685 2HB GLU A 39 18.758 20.359 −0.298 1.00 0.00 H ATOM 686 1HG GLU A 39 20.944 21.762 −0.036 1.00 0.00 H ATOM 687 2HG GLU A 39 20.073 22.738 1.128 1.00 0.00 H ATOM 688 N TYR A 40 20.369 23.012 −2.444 1.00 0.00 N ATOM 689 CA TYR A 40 21.470 22.895 −3.383 1.00 0.00 C ATOM 690 C TYR A 40 22.657 22.233 −2.675 1.00 0.00 C ATOM 691 O TYR A 40 23.008 22.599 −1.548 1.00 0.00 O ATOM 692 CB TYR A 40 21.865 24.274 −3.914 1.00 0.00 C ATOM 693 CG TYR A 40 23.094 24.282 −4.815 1.00 0.00 C ATOM 694 CD1 TYR A 40 23.007 23.816 −6.143 1.00 0.00 C ATOM 695 CD2 TYR A 40 24.342 24.704 −4.305 1.00 0.00 C ATOM 696 CE1 TYR A 40 24.160 23.763 −6.950 1.00 0.00 C ATOM 697 CE2 TYR A 40 25.494 24.650 −5.112 1.00 0.00 C ATOM 698 CZ TYR A 40 25.403 24.178 −6.436 1.00 0.00 C ATOM 699 OH TYR A 40 26.515 24.118 −7.222 1.00 0.00 O ATOM 700 H TYR A 40 20.395 23.718 −1.707 1.00 0.00 H ATOM 701 HA TYR A 40 21.187 22.292 −4.249 1.00 0.00 H ATOM 702 1HB TYR A 40 21.030 24.701 −4.471 1.00 0.00 H ATOM 703 2HB TYR A 40 22.042 24.954 −3.079 1.00 0.00 H ATOM 704 HD1 TYR A 40 22.060 23.483 −6.545 1.00 0.00 H ATOM 705 HD2 TYR A 40 24.426 25.052 −3.285 1.00 0.00 H ATOM 706 HE1 TYR A 40 24.088 23.398 −7.965 1.00 0.00 H ATOM 707 HE2 TYR A 40 26.443 24.967 −4.704 1.00 0.00 H ATOM 708 HH TYR A 40 27.295 24.447 −6.792 1.00 0.00 H ATOM 709 N VAL A 41 23.238 21.230 −3.329 1.00 0.00 N ATOM 710 CA VAL A 41 24.395 20.511 −2.796 1.00 0.00 C ATOM 711 C VAL A 41 25.462 20.658 −3.884 1.00 0.00 C ATOM 712 O VAL A 41 25.237 20.298 −5.034 1.00 0.00 O ATOM 713 CB VAL A 41 24.055 19.044 −2.529 1.00 0.00 C ATOM 714 CG1 VAL A 41 25.203 18.305 −1.806 1.00 0.00 C ATOM 715 CG2 VAL A 41 22.753 18.864 −1.717 1.00 0.00 C ATOM 716 H VAL A 41 22.942 20.996 −4.265 1.00 0.00 H ATOM 717 HA VAL A 41 24.684 20.952 −1.846 1.00 0.00 H ATOM 718 HB VAL A 41 23.903 18.548 −3.486 1.00 0.00 H ATOM 719 1HG1 VAL A 41 24.928 17.276 −1.577 1.00 0.00 H ATOM 720 2HG1 VAL A 41 26.110 18.264 −2.409 1.00 0.00 H ATOM 721 3HG1 VAL A 41 25.451 18.779 −0.855 1.00 0.00 H ATOM 722 1HG2 VAL A 41 22.561 17.812 −1.505 1.00 0.00 H ATOM 723 2HG2 VAL A 41 22.802 19.389 −0.761 1.00 0.00 H ATOM 724 3HG2 VAL A 41 21.880 19.238 −2.252 1.00 0.00 H ATOM 725 N PRO A 42 26.651 21.161 −3.515 1.00 0.00 N ATOM 726 CA PRO A 42 27.762 21.397 −4.447 1.00 0.00 C ATOM 727 C PRO A 42 28.454 20.299 −5.248 1.00 0.00 C ATOM 728 O PRO A 42 28.887 20.560 −6.372 1.00 0.00 O ATOM 729 CB PRO A 42 28.759 22.190 −3.606 1.00 0.00 C ATOM 730 CG PRO A 42 28.547 21.756 −2.177 1.00 0.00 C ATOM 731 CD PRO A 42 27.058 21.453 −2.132 1.00 0.00 C ATOM 732 HA PRO A 42 27.371 22.077 −5.206 1.00 0.00 H ATOM 733 1HB PRO A 42 29.797 22.063 −3.920 1.00 0.00 H ATOM 734 2HB PRO A 42 28.535 23.254 −3.693 1.00 0.00 H ATOM 735 1HG PRO A 42 28.863 22.501 −1.444 1.00 0.00 H ATOM 736 2HG PRO A 42 29.124 20.850 −1.992 1.00 0.00 H ATOM 737 1HD PRO A 42 26.515 22.333 −1.780 1.00 0.00 H ATOM 738 2HD PRO A 42 26.856 20.633 −1.444 1.00 0.00 H ATOM 739 N GLU A 43 28.565 19.090 −4.709 1.00 0.00 N ATOM 740 CA GLU A 43 29.265 18.023 −5.425 1.00 0.00 C ATOM 741 C GLU A 43 28.487 16.715 −5.515 1.00 0.00 C ATOM 742 O GLU A 43 27.365 16.618 −5.047 1.00 0.00 O ATOM 743 CB GLU A 43 30.602 17.748 −4.729 1.00 0.00 C ATOM 744 CG GLU A 43 31.771 18.643 −5.200 1.00 0.00 C ATOM 745 CD GLU A 43 32.327 18.245 −6.562 1.00 0.00 C ATOM 746 OE1 GLU A 43 31.603 17.548 −7.301 1.00 0.00 O ATOM 747 OE2 GLU A 43 33.479 18.620 −6.857 1.00 0.00 O ATOM 748 H GLU A 43 28.109 18.856 −3.841 1.00 0.00 H ATOM 749 HA GLU A 43 29.452 18.274 −6.470 1.00 0.00 H ATOM 750 1HB GLU A 43 30.479 17.903 −3.661 1.00 0.00 H ATOM 751 2HB GLU A 43 30.943 16.715 −4.809 1.00 0.00 H ATOM 752 1HG GLU A 43 31.468 19.689 −5.234 1.00 0.00 H ATOM 753 2HG GLU A 43 32.588 18.578 −4.483 1.00 0.00 H ATOM 754 N THR A 44 29.110 15.716 −6.133 1.00 0.00 N ATOM 755 CA THR A 44 28.529 14.384 −6.258 1.00 0.00 C ATOM 756 C THR A 44 29.664 13.400 −6.035 1.00 0.00 C ATOM 757 O THR A 44 30.840 13.742 −6.217 1.00 0.00 O ATOM 758 CB THR A 44 27.943 14.114 −7.657 1.00 0.00 C ATOM 759 OG1 THR A 44 28.903 14.337 −8.681 1.00 0.00 O ATOM 760 CG2 THR A 44 26.700 14.950 −7.975 1.00 0.00 C ATOM 761 H THR A 44 30.088 15.820 −6.382 1.00 0.00 H ATOM 762 HA THR A 44 27.802 14.204 −5.482 1.00 0.00 H ATOM 763 HB THR A 44 27.639 13.066 −7.714 1.00 0.00 H ATOM 764 HG1 THR A 44 29.129 15.258 −8.642 1.00 0.00 H ATOM 765 1HG2 THR A 44 26.280 14.681 −8.945 1.00 0.00 H ATOM 766 2HG2 THR A 44 25.925 14.773 −7.230 1.00 0.00 H ATOM 767 3HG2 THR A 44 26.911 16.020 −7.984 1.00 0.00 H ATOM 768 N VAL A 45 29.320 12.185 −5.633 1.00 0.00 N ATOM 769 CA VAL A 45 30.330 11.154 −5.402 1.00 0.00 C ATOM 770 C VAL A 45 31.026 10.877 −6.734 1.00 0.00 C ATOM 771 O VAL A 45 32.207 10.524 −6.777 1.00 0.00 O ATOM 772 CB VAL A 45 29.675 9.852 −4.873 1.00 0.00 C ATOM 773 CG1 VAL A 45 30.622 8.639 −4.770 1.00 0.00 C ATOM 774 CG2 VAL A 45 29.043 10.071 −3.487 1.00 0.00 C ATOM 775 H VAL A 45 28.338 11.960 −5.473 1.00 0.00 H ATOM 776 HA VAL A 45 31.082 11.514 −4.696 1.00 0.00 H ATOM 777 HB VAL A 45 28.876 9.572 −5.561 1.00 0.00 H ATOM 778 1HG1 VAL A 45 30.120 7.781 −4.319 1.00 0.00 H ATOM 779 2HG1 VAL A 45 30.985 8.307 −5.743 1.00 0.00 H ATOM 780 3HG1 VAL A 45 31.489 8.872 −4.150 1.00 0.00 H ATOM 781 1HG2 VAL A 45 28.490 9.188 −3.168 1.00 0.00 H ATOM 782 2HG2 VAL A 45 29.809 10.248 −2.735 1.00 0.00 H ATOM 783 3HG2 VAL A 45 28.354 10.914 −3.465 1.00 0.00 H ATOM 784 N TYR A 46 30.284 11.046 −7.820 1.00 0.00 N ATOM 785 CA TYR A 46 30.834 10.821 −9.148 1.00 0.00 C ATOM 786 C TYR A 46 32.026 11.748 −9.420 1.00 0.00 C ATOM 787 O TYR A 46 33.112 11.291 −9.784 1.00 0.00 O ATOM 788 CB TYR A 46 29.753 11.056 −10.201 1.00 0.00 C ATOM 789 CG TYR A 46 30.217 10.908 −11.644 1.00 0.00 C ATOM 790 CD1 TYR A 46 30.710 9.670 −12.107 1.00 0.00 C ATOM 791 CD2 TYR A 46 30.168 12.012 −12.522 1.00 0.00 C ATOM 792 CE1 TYR A 46 31.149 9.537 −13.438 1.00 0.00 C ATOM 793 CE2 TYR A 46 30.600 11.876 −13.855 1.00 0.00 C ATOM 794 CZ TYR A 46 31.089 10.637 −14.314 1.00 0.00 C ATOM 795 OH TYR A 46 31.499 10.494 −15.605 1.00 0.00 O ATOM 796 H TYR A 46 29.320 11.326 −7.708 1.00 0.00 H ATOM 797 HA TYR A 46 31.188 9.790 −9.220 1.00 0.00 H ATOM 798 1HB TYR A 46 28.938 10.357 −10.062 1.00 0.00 H ATOM 799 2HB TYR A 46 29.309 12.044 −10.072 1.00 0.00 H ATOM 800 HD1 TYR A 46 30.756 8.813 −11.450 1.00 0.00 H ATOM 801 HD2 TYR A 46 29.797 12.968 −12.179 1.00 0.00 H ATOM 802 HE1 TYR A 46 31.524 8.585 −13.786 1.00 0.00 H ATOM 803 HE2 TYR A 46 30.552 12.729 −14.517 1.00 0.00 H ATOM 804 HH TYR A 46 31.367 11.278 −16.126 1.00 0.00 H ATOM 805 N ARG A 47 31.818 13.049 −9.243 1.00 0.00 N ATOM 806 CA ARG A 47 32.872 14.028 −9.497 1.00 0.00 C ATOM 807 C ARG A 47 34.063 13.855 −8.564 1.00 0.00 C ATOM 808 O ARG A 47 35.212 13.881 −9.001 1.00 0.00 O ATOM 809 CB ARG A 47 32.326 15.444 −9.356 1.00 0.00 C ATOM 810 CG ARG A 47 31.410 15.861 −10.519 1.00 0.00 C ATOM 811 CD ARG A 47 30.767 17.237 −10.294 1.00 0.00 C ATOM 812 NE ARG A 47 29.918 17.623 −11.433 1.00 0.00 N ATOM 813 CZ ARG A 47 29.094 18.678 −11.479 1.00 0.00 C ATOM 814 NH1 ARG A 47 28.980 19.504 −10.440 1.00 0.00 N ATOM 815 NH2 ARG A 47 28.380 18.901 −12.578 1.00 0.00 N ATOM 816 H ARG A 47 30.921 13.351 −8.878 1.00 0.00 H ATOM 817 HA ARG A 47 33.236 13.890 −10.518 1.00 0.00 H ATOM 818 1HB ARG A 47 31.764 15.480 −8.425 1.00 0.00 H ATOM 819 2HB ARG A 47 33.133 16.174 −9.259 1.00 0.00 H ATOM 820 1HG ARG A 47 31.990 15.874 −11.442 1.00 0.00 H ATOM 821 2HG ARG A 47 30.627 15.114 −10.660 1.00 0.00 H ATOM 822 1HD ARG A 47 30.153 17.214 −9.393 1.00 0.00 H ATOM 823 2HD ARG A 47 31.533 17.998 −10.138 1.00 0.00 H ATOM 824 HE ARG A 47 30.003 17.030 −12.249 1.00 0.00 H ATOM 825 1HH1 ARG A 47 28.360 20.300 −10.448 1.00 0.00 H ATOM 826 2HH1 ARG A 47 29.514 19.361 −9.596 1.00 0.00 H ATOM 827 1HH2 ARG A 47 27.746 19.681 −12.656 1.00 0.00 H ATOM 828 2HH2 ARG A 47 28.433 18.295 −13.383 1.00 0.00 H ATOM 829 N VAL A 48 33.795 13.677 −7.278 1.00 0.00 N ATOM 830 CA VAL A 48 34.873 13.502 −6.314 1.00 0.00 C ATOM 831 C VAL A 48 35.700 12.257 −6.638 1.00 0.00 C ATOM 832 O VAL A 48 36.928 12.306 −6.613 1.00 0.00 O ATOM 833 CB VAL A 48 34.322 13.407 −4.871 1.00 0.00 C ATOM 834 CG1 VAL A 48 35.376 13.096 −3.786 1.00 0.00 C ATOM 835 CG2 VAL A 48 33.585 14.705 −4.477 1.00 0.00 C ATOM 836 H VAL A 48 32.834 13.677 −6.953 1.00 0.00 H ATOM 837 HA VAL A 48 35.545 14.361 −6.382 1.00 0.00 H ATOM 838 HB VAL A 48 33.587 12.599 −4.844 1.00 0.00 H ATOM 839 1HG1 VAL A 48 34.931 13.109 −2.790 1.00 0.00 H ATOM 840 2HG1 VAL A 48 35.819 12.107 −3.911 1.00 0.00 H ATOM 841 3HG1 VAL A 48 36.182 13.830 −3.798 1.00 0.00 H ATOM 842 1HG2 VAL A 48 33.096 14.604 −3.507 1.00 0.00 H ATOM 843 2HG2 VAL A 48 34.274 15.548 −4.415 1.00 0.00 H ATOM 844 3HG2 VAL A 48 32.812 14.983 −5.191 1.00 0.00 H ATOM 845 N ALA A 49 35.032 11.148 −6.947 1.00 0.00 N ATOM 846 CA ALA A 49 35.738 9.909 −7.285 1.00 0.00 C ATOM 847 C ALA A 49 36.557 10.084 −8.568 1.00 0.00 C ATOM 848 O ALA A 49 37.637 9.502 −8.715 1.00 0.00 O ATOM 849 CB ALA A 49 34.740 8.753 −7.455 1.00 0.00 C ATOM 850 H ALA A 49 34.015 11.138 −6.938 1.00 0.00 H ATOM 851 HA ALA A 49 36.425 9.660 −6.474 1.00 0.00 H ATOM 852 1HB ALA A 49 35.255 7.823 −7.698 1.00 0.00 H ATOM 853 2HB ALA A 49 34.176 8.584 −6.538 1.00 0.00 H ATOM 854 3HB ALA A 49 34.024 8.953 −8.253 1.00 0.00 H ATOM 855 N ARG A 50 36.039 10.883 −9.496 1.00 0.00 N ATOM 856 CA ARG A 50 36.728 11.123 −10.757 1.00 0.00 C ATOM 857 C ARG A 50 38.019 11.902 −10.528 1.00 0.00 C ATOM 858 O ARG A 50 39.014 11.695 −11.226 1.00 0.00 O ATOM 859 CB ARG A 50 35.822 11.892 −11.714 1.00 0.00 C ATOM 860 CG ARG A 50 36.340 11.992 −13.160 1.00 0.00 C ATOM 861 CD ARG A 50 35.425 12.838 −14.055 1.00 0.00 C ATOM 862 NE ARG A 50 35.672 14.278 −13.852 1.00 0.00 N ATOM 863 CZ ARG A 50 35.446 15.263 −14.729 1.00 0.00 C ATOM 864 NH1 ARG A 50 35.010 15.003 −15.959 1.00 0.00 N ATOM 865 NH2 ARG A 50 35.730 16.513 −14.384 1.00 0.00 N ATOM 866 H ARG A 50 35.105 11.256 −9.354 1.00 0.00 H ATOM 867 HA ARG A 50 36.962 10.153 −11.199 1.00 0.00 H ATOM 868 1HB ARG A 50 34.847 11.404 −11.745 1.00 0.00 H ATOM 869 2HB ARG A 50 35.638 12.893 −11.327 1.00 0.00 H ATOM 870 1HG ARG A 50 37.347 12.406 −13.178 1.00 0.00 H ATOM 871 2HG ARG A 50 36.425 10.988 −13.580 1.00 0.00 H ATOM 872 1HD ARG A 50 35.635 12.587 −15.095 1.00 0.00 H ATOM 873 2HD ARG A 50 34.372 12.608 −13.884 1.00 0.00 H ATOM 874 HE ARG A 50 35.876 14.520 −12.889 1.00 0.00 H ATOM 875 1HH1 ARG A 50 34.793 15.737 −16.619 1.00 0.00 H ATOM 876 2HH1 ARG A 50 34.711 14.076 −16.223 1.00 0.00 H ATOM 877 1HH2 ARG A 50 35.553 17.290 −15.005 1.00 0.00 H ATOM 878 2HH2 ARG A 50 36.022 16.769 −13.451 1.00 0.00 H ATOM 879 N HIS A 51 38.002 12.800 −9.549 1.00 0.00 N ATOM 880 CA HIS A 51 39.185 13.588 −9.236 1.00 0.00 C ATOM 881 C HIS A 51 40.309 12.658 −8.783 1.00 0.00 C ATOM 882 O HIS A 51 41.435 12.741 −9.281 1.00 0.00 O ATOM 883 CB HIS A 51 38.885 14.612 −8.132 1.00 0.00 C ATOM 884 CG HIS A 51 38.217 15.893 −8.571 1.00 0.00 C ATOM 885 ND1 HIS A 51 36.881 15.980 −8.914 1.00 0.00 N ATOM 886 CD2 HIS A 51 38.708 17.172 −8.706 1.00 0.00 C ATOM 887 CE1 HIS A 51 36.604 17.259 −9.169 1.00 0.00 C ATOM 888 NE2 HIS A 51 37.679 18.036 −9.088 1.00 0.00 N ATOM 889 H HIS A 51 37.149 12.934 −9.016 1.00 0.00 H ATOM 890 HA HIS A 51 39.525 14.118 −10.128 1.00 0.00 H ATOM 891 1HB HIS A 51 38.319 14.179 −7.312 1.00 0.00 H ATOM 892 2HB HIS A 51 39.829 14.925 −7.681 1.00 0.00 H ATOM 893 HD1 HIS A 51 36.202 15.209 −8.922 1.00 0.00 H ATOM 894 HD2 HIS A 51 39.712 17.538 −8.533 1.00 0.00 H ATOM 895 HE1 HIS A 51 35.615 17.623 −9.421 1.00 0.00 H ATOM 896 N PHE A 52 40.005 11.777 −7.835 1.00 0.00 N ATOM 897 CA PHE A 52 41.000 10.848 −7.328 1.00 0.00 C ATOM 898 C PHE A 52 41.427 9.869 −8.415 1.00 0.00 C ATOM 899 O PHE A 52 42.587 9.469 −8.484 1.00 0.00 O ATOM 900 CB PHE A 52 40.453 10.091 −6.118 1.00 0.00 C ATOM 901 CG PHE A 52 40.352 10.915 −4.840 1.00 0.00 C ATOM 902 CD1 PHE A 52 41.496 11.129 −4.048 1.00 0.00 C ATOM 903 CD2 PHE A 52 39.119 11.447 −4.412 1.00 0.00 C ATOM 904 CE1 PHE A 52 41.424 11.894 −2.869 1.00 0.00 C ATOM 905 CE2 PHE A 52 39.041 12.219 −3.237 1.00 0.00 C ATOM 906 CZ PHE A 52 40.195 12.447 −2.465 1.00 0.00 C ATOM 907 H PHE A 52 39.068 11.764 −7.450 1.00 0.00 H ATOM 908 HA PHE A 52 41.888 11.405 −7.022 1.00 0.00 H ATOM 909 1HB PHE A 52 39.476 9.674 −6.369 1.00 0.00 H ATOM 910 2HB PHE A 52 41.075 9.234 −5.880 1.00 0.00 H ATOM 911 HD1 PHE A 52 42.433 10.690 −4.339 1.00 0.00 H ATOM 912 HD2 PHE A 52 38.221 11.243 −4.968 1.00 0.00 H ATOM 913 HE1 PHE A 52 42.311 12.050 −2.272 1.00 0.00 H ATOM 914 HE2 PHE A 52 38.093 12.628 −2.922 1.00 0.00 H ATOM 915 HZ PHE A 52 40.135 13.035 −1.561 1.00 0.00 H ATOM 916 N THR A 53 40.485 9.485 −9.265 1.00 0.00 N ATOM 917 CA THR A 53 40.786 8.565 −10.349 1.00 0.00 C ATOM 918 C THR A 53 41.823 9.192 −11.269 1.00 0.00 C ATOM 919 O THR A 53 42.846 8.585 −11.581 1.00 0.00 O ATOM 920 CB THR A 53 39.516 8.260 −11.143 1.00 0.00 C ATOM 921 OG1 THR A 53 38.689 7.395 −10.385 1.00 0.00 O ATOM 922 CG2 THR A 53 39.705 7.517 −12.482 1.00 0.00 C ATOM 923 H THR A 53 39.507 9.710 −9.099 1.00 0.00 H ATOM 924 HA THR A 53 41.205 7.642 −9.942 1.00 0.00 H ATOM 925 HB THR A 53 38.966 9.175 −11.339 1.00 0.00 H ATOM 926 HG1 THR A 53 38.977 6.494 −10.489 1.00 0.00 H ATOM 927 1HG2 THR A 53 38.742 7.246 −12.917 1.00 0.00 H ATOM 928 2HG2 THR A 53 40.214 8.133 −13.223 1.00 0.00 H ATOM 929 3HG2 THR A 53 40.281 6.600 −12.356 1.00 0.00 H ATOM 930 N LYS A 54 41.550 10.420 −11.691 1.00 0.00 N ATOM 931 CA LYS A 54 42.440 11.147 −12.583 1.00 0.00 C ATOM 932 C LYS A 54 43.810 11.393 −11.951 1.00 0.00 C ATOM 933 O LYS A 54 44.840 11.248 −12.612 1.00 0.00 O ATOM 934 CB LYS A 54 41.790 12.475 −12.984 1.00 0.00 C ATOM 935 CG LYS A 54 40.687 12.319 −14.045 1.00 0.00 C ATOM 936 CD LYS A 54 39.943 13.637 −14.310 1.00 0.00 C ATOM 937 CE LYS A 54 38.985 13.547 −15.508 1.00 0.00 C ATOM 938 NZ LYS A 54 38.217 14.788 −15.678 1.00 0.00 N ATOM 939 H LYS A 54 40.698 10.880 −11.377 1.00 0.00 H ATOM 940 HA LYS A 54 42.604 10.548 −13.481 1.00 0.00 H ATOM 941 1HB LYS A 54 41.392 12.974 −12.098 1.00 0.00 H ATOM 942 2HB LYS A 54 42.548 13.150 −13.385 1.00 0.00 H ATOM 943 1HG LYS A 54 41.133 11.954 −14.971 1.00 0.00 H ATOM 944 2HG LYS A 54 39.969 11.559 −13.732 1.00 0.00 H ATOM 945 1HD LYS A 54 39.395 13.918 −13.409 1.00 0.00 H ATOM 946 2HD LYS A 54 40.668 14.432 −14.490 1.00 0.00 H ATOM 947 1HE LYS A 54 39.544 13.353 −16.423 1.00 0.00 H ATOM 948 2HE LYS A 54 38.288 12.719 −15.381 1.00 0.00 H ATOM 949 1HZ LYS A 54 37.616 14.716 −16.481 1.00 0.00 H ATOM 950 2HZ LYS A 54 37.636 14.949 −14.870 1.00 0.00 H ATOM 951 3HZ LYS A 54 38.835 15.571 −15.803 1.00 0.00 H ATOM 952 N ALA A 55 43.822 11.763 −10.674 1.00 0.00 N ATOM 953 CA ALA A 55 45.070 12.022 −9.968 1.00 0.00 C ATOM 954 C ALA A 55 45.754 10.711 −9.610 1.00 0.00 C ATOM 955 O ALA A 55 46.723 10.699 −8.850 1.00 0.00 O ATOM 956 CB ALA A 55 44.803 12.828 −8.700 1.00 0.00 C ATOM 957 H ALA A 55 42.943 11.909 −10.184 1.00 0.00 H ATOM 958 HA ALA A 55 45.748 12.595 −10.604 1.00 0.00 H ATOM 959 1HB ALA A 55 45.729 13.078 −8.181 1.00 0.00 H ATOM 960 2HB ALA A 55 44.297 13.766 −8.930 1.00 0.00 H ATOM 961 3HB ALA A 55 44.171 12.277 −8.002 1.00 0.00 H ATOM 962 N LYS A 56 45.251 9.609 −10.160 1.00 0.00 N ATOM 963 CA LYS A 56 45.815 8.293 −9.876 1.00 0.00 C ATOM 964 C LYS A 56 45.988 8.144 −8.364 1.00 0.00 C ATOM 965 O LYS A 56 47.002 7.644 −7.879 1.00 0.00 O ATOM 966 CB LYS A 56 47.163 8.136 −10.590 1.00 0.00 C ATOM 967 CG LYS A 56 47.105 8.340 −12.117 1.00 0.00 C ATOM 968 CD LYS A 56 46.323 7.239 −12.861 1.00 0.00 C ATOM 969 CE LYS A 56 45.689 7.725 −14.169 1.00 0.00 C ATOM 970 NZ LYS A 56 44.610 8.689 −13.906 1.00 0.00 N ATOM 971 H LYS A 56 44.425 9.664 −10.741 1.00 0.00 H ATOM 972 HA LYS A 56 45.110 7.541 −10.232 1.00 0.00 H ATOM 973 1HB LYS A 56 47.900 8.826 −10.175 1.00 0.00 H ATOM 974 2HB LYS A 56 47.564 7.141 −10.391 1.00 0.00 H ATOM 975 1HG LYS A 56 46.700 9.328 −12.329 1.00 0.00 H ATOM 976 2HG LYS A 56 48.122 8.368 −12.512 1.00 0.00 H ATOM 977 1HD LYS A 56 47.000 6.410 −13.073 1.00 0.00 H ATOM 978 2HD LYS A 56 45.537 6.813 −12.239 1.00 0.00 H ATOM 979 1HE LYS A 56 46.435 8.178 −14.823 1.00 0.00 H ATOM 980 2HE LYS A 56 45.266 6.877 −14.709 1.00 0.00 H ATOM 981 1HZ LYS A 56 44.122 8.894 −14.761 1.00 0.00 H ATOM 982 2HZ LYS A 56 43.959 8.321 −13.222 1.00 0.00 H ATOM 983 3HZ LYS A 56 44.993 9.551 −13.533 1.00 0.00 H ATOM 984 N LEU A 57 44.979 8.597 −7.629 1.00 0.00 N ATOM 985 CA LEU A 57 44.973 8.548 −6.174 1.00 0.00 C ATOM 986 C LEU A 57 43.761 7.753 −5.709 1.00 0.00 C ATOM 987 O LEU A 57 42.768 7.639 −6.429 1.00 0.00 O ATOM 988 CB LEU A 57 44.879 9.967 −5.607 1.00 0.00 C ATOM 989 CG LEU A 57 45.125 10.165 −4.089 1.00 0.00 C ATOM 990 CD1 LEU A 57 46.436 9.531 −3.594 1.00 0.00 C ATOM 991 CD2 LEU A 57 45.119 11.664 −3.745 1.00 0.00 C ATOM 992 H LEU A 57 44.118 8.912 −8.083 1.00 0.00 H ATOM 993 HA LEU A 57 45.870 8.057 −5.798 1.00 0.00 H ATOM 994 1HB LEU A 57 45.628 10.566 −6.129 1.00 0.00 H ATOM 995 2HB LEU A 57 43.927 10.410 −5.899 1.00 0.00 H ATOM 996 HG LEU A 57 44.308 9.707 −3.532 1.00 0.00 H ATOM 997 1HD1 LEU A 57 46.617 9.775 −2.546 1.00 0.00 H ATOM 998 2HD1 LEU A 57 46.420 8.443 −3.658 1.00 0.00 H ATOM 999 3HD1 LEU A 57 47.293 9.888 −4.167 1.00 0.00 H ATOM 1000 1HD2 LEU A 57 45.176 11.822 −2.667 1.00 0.00 H ATOM 1001 2HD2 LEU A 57 45.966 12.179 −4.199 1.00 0.00 H ATOM 1002 3HD2 LEU A 57 44.215 12.159 −4.098 1.00 0.00 H ATOM 1003 N THR A 58 43.846 7.207 −4.504 1.00 0.00 N ATOM 1004 CA THR A 58 42.744 6.445 −3.927 1.00 0.00 C ATOM 1005 C THR A 58 41.960 7.365 −2.996 1.00 0.00 C ATOM 1006 O THR A 58 42.554 8.156 −2.261 1.00 0.00 O ATOM 1007 CB THR A 58 43.260 5.264 −3.081 1.00 0.00 C ATOM 1008 OG1 THR A 58 44.299 5.676 −2.202 1.00 0.00 O ATOM 1009 CG2 THR A 58 43.812 4.126 −3.950 1.00 0.00 C ATOM 1010 H THR A 58 44.620 7.446 −3.904 1.00 0.00 H ATOM 1011 HA THR A 58 42.077 6.058 −4.701 1.00 0.00 H ATOM 1012 HB THR A 58 42.443 4.860 −2.477 1.00 0.00 H ATOM 1013 HG1 THR A 58 43.972 6.406 −1.685 1.00 0.00 H ATOM 1014 1HG2 THR A 58 44.150 3.291 −3.336 1.00 0.00 H ATOM 1015 2HG2 THR A 58 43.043 3.752 −4.625 1.00 0.00 H ATOM 1016 3HG2 THR A 58 44.655 4.459 −4.556 1.00 0.00 H ATOM 1017 N ILE A 59 40.634 7.282 −3.025 1.00 0.00 N ATOM 1018 CA ILE A 59 39.844 8.107 −2.125 1.00 0.00 C ATOM 1019 C ILE A 59 40.100 7.542 −0.725 1.00 0.00 C ATOM 1020 O ILE A 59 39.935 6.337 −0.496 1.00 0.00 O ATOM 1021 CB ILE A 59 38.347 8.024 −2.466 1.00 0.00 C ATOM 1022 CG1 ILE A 59 38.034 8.195 −3.973 1.00 0.00 C ATOM 1023 CG2 ILE A 59 37.543 9.056 −1.658 1.00 0.00 C ATOM 1024 CD1 ILE A 59 37.737 6.882 −4.704 1.00 0.00 C ATOM 1025 H ILE A 59 40.153 6.617 −3.611 1.00 0.00 H ATOM 1026 HA ILE A 59 40.155 9.143 −2.254 1.00 0.00 H ATOM 1027 HB ILE A 59 37.973 7.042 −2.174 1.00 0.00 H ATOM 1028 1HG1 ILE A 59 37.172 8.849 −4.111 1.00 0.00 H ATOM 1029 2HG1 ILE A 59 38.859 8.696 −4.464 1.00 0.00 H ATOM 1030 1HG2 ILE A 59 36.477 8.990 −1.876 1.00 0.00 H ATOM 1031 2HG2 ILE A 59 37.661 8.906 −0.586 1.00 0.00 H ATOM 1032 3HG2 ILE A 59 37.870 10.063 −1.905 1.00 0.00 H ATOM 1033 1HD1 ILE A 59 37.501 7.064 −5.753 1.00 0.00 H ATOM 1034 2HD1 ILE A 59 38.582 6.195 −4.669 1.00 0.00 H ATOM 1035 3HD1 ILE A 59 36.880 6.381 −4.255 1.00 0.00 H ATOM 1036 N PRO A 60 40.552 8.394 0.218 1.00 0.00 N ATOM 1037 CA PRO A 60 40.819 7.926 1.582 1.00 0.00 C ATOM 1038 C PRO A 60 39.640 7.122 2.132 1.00 0.00 C ATOM 1039 O PRO A 60 38.481 7.524 1.995 1.00 0.00 O ATOM 1040 CB PRO A 60 41.067 9.217 2.361 1.00 0.00 C ATOM 1041 CG PRO A 60 41.661 10.173 1.347 1.00 0.00 C ATOM 1042 CD PRO A 60 40.966 9.789 0.043 1.00 0.00 C ATOM 1043 HA PRO A 60 41.723 7.315 1.558 1.00 0.00 H ATOM 1044 1HB PRO A 60 40.162 9.695 2.666 1.00 0.00 H ATOM 1045 2HB PRO A 60 41.696 9.074 3.240 1.00 0.00 H ATOM 1046 1HG PRO A 60 42.733 9.989 1.259 1.00 0.00 H ATOM 1047 2HG PRO A 60 41.526 11.223 1.612 1.00 0.00 H ATOM 1048 1HD PRO A 60 41.646 9.937 −0.795 1.00 0.00 H ATOM 1049 2HD PRO A 60 40.081 10.401 −0.130 1.00 0.00 H ATOM 1050 N ILE A 61 39.928 6.008 2.826 1.00 0.00 N ATOM 1051 CA ILE A 61 38.999 4.943 3.257 1.00 0.00 C ATOM 1052 C ILE A 61 37.632 5.045 2.538 1.00 0.00 C ATOM 1053 O ILE A 61 36.587 5.303 3.135 1.00 0.00 O ATOM 1054 CB ILE A 61 38.934 4.842 4.811 1.00 0.00 C ATOM 1055 CG1 ILE A 61 40.316 4.980 5.505 1.00 0.00 C ATOM 1056 CG2 ILE A 61 38.224 3.551 5.275 1.00 0.00 C ATOM 1057 CD1 ILE A 61 40.243 5.116 7.034 1.00 0.00 C ATOM 1058 H ILE A 61 40.905 5.784 2.928 1.00 0.00 H ATOM 1059 HA ILE A 61 39.441 4.012 2.902 1.00 0.00 H ATOM 1060 HB ILE A 61 38.332 5.679 5.154 1.00 0.00 H ATOM 1061 1HG1 ILE A 61 40.953 4.134 5.240 1.00 0.00 H ATOM 1062 2HG1 ILE A 61 40.833 5.870 5.151 1.00 0.00 H ATOM 1063 1HG2 ILE A 61 38.099 3.521 6.357 1.00 0.00 H ATOM 1064 2HG2 ILE A 61 37.219 3.467 4.862 1.00 0.00 H ATOM 1065 3HG2 ILE A 61 38.779 2.660 4.979 1.00 0.00 H ATOM 1066 1HD1 ILE A 61 41.225 5.337 7.452 1.00 0.00 H ATOM 1067 2HD1 ILE A 61 39.573 5.922 7.336 1.00 0.00 H ATOM 1068 3HD1 ILE A 61 39.894 4.203 7.517 1.00 0.00 H ATOM 1069 N LEU A 62 37.767 4.959 1.202 1.00 0.00 N ATOM 1070 CA LEU A 62 36.866 5.047 0.062 1.00 0.00 C ATOM 1071 C LEU A 62 35.877 6.225 −0.019 1.00 0.00 C ATOM 1072 O LEU A 62 35.543 6.643 −1.125 1.00 0.00 O ATOM 1073 CB LEU A 62 36.254 3.685 −0.292 1.00 0.00 C ATOM 1074 CG LEU A 62 35.535 2.795 0.751 1.00 0.00 C ATOM 1075 CD1 LEU A 62 36.436 2.145 1.812 1.00 0.00 C ATOM 1076 CD2 LEU A 62 34.279 3.441 1.338 1.00 0.00 C ATOM 1077 H LEU A 62 38.732 4.937 0.909 1.00 0.00 H ATOM 1078 HA LEU A 62 37.544 5.266 −0.763 1.00 0.00 H ATOM 1079 1HB LEU A 62 35.516 3.840 −1.060 1.00 0.00 H ATOM 1080 2HB LEU A 62 37.027 3.089 −0.777 1.00 0.00 H ATOM 1081 HG LEU A 62 35.164 1.954 0.164 1.00 0.00 H ATOM 1082 1HD1 LEU A 62 36.057 1.162 2.091 1.00 0.00 H ATOM 1083 2HD1 LEU A 62 37.464 2.036 1.475 1.00 0.00 H ATOM 1084 3HD1 LEU A 62 36.480 2.723 2.725 1.00 0.00 H ATOM 1085 1HD2 LEU A 62 33.705 2.728 1.929 1.00 0.00 H ATOM 1086 2HD2 LEU A 62 34.514 4.287 1.980 1.00 0.00 H ATOM 1087 3HD2 LEU A 62 33.630 3.792 0.535 1.00 0.00 H ATOM 1088 N TYR A 63 35.472 6.822 1.096 1.00 0.00 N ATOM 1089 CA TYR A 63 34.709 8.063 1.161 1.00 0.00 C ATOM 1090 C TYR A 63 35.558 8.982 2.045 1.00 0.00 C ATOM 1091 O TYR A 63 35.584 8.751 3.243 1.00 0.00 O ATOM 1092 CB TYR A 63 33.293 7.816 1.757 1.00 0.00 C ATOM 1093 CG TYR A 63 32.216 7.263 0.834 1.00 0.00 C ATOM 1094 CD1 TYR A 63 31.519 8.121 −0.043 1.00 0.00 C ATOM 1095 CD2 TYR A 63 31.824 5.912 0.930 1.00 0.00 C ATOM 1096 CE1 TYR A 63 30.413 7.643 −0.772 1.00 0.00 C ATOM 1097 CE2 TYR A 63 30.721 5.431 0.197 1.00 0.00 C ATOM 1098 CZ TYR A 63 30.002 6.304 −0.642 1.00 0.00 C ATOM 1099 OH TYR A 63 28.910 5.865 −1.331 1.00 0.00 O ATOM 1100 H TYR A 63 35.791 6.413 1.973 1.00 0.00 H ATOM 1101 HA TYR A 63 34.603 8.518 0.175 1.00 0.00 H ATOM 1102 1HB TYR A 63 33.369 7.180 2.640 1.00 0.00 H ATOM 1103 2HB TYR A 63 32.900 8.755 2.132 1.00 0.00 H ATOM 1104 HD1 TYR A 63 31.800 9.159 −0.136 1.00 0.00 H ATOM 1105 HD2 TYR A 63 32.324 5.255 1.624 1.00 0.00 H ATOM 1106 HE1 TYR A 63 29.867 8.309 −1.420 1.00 0.00 H ATOM 1107 HE2 TYR A 63 30.422 4.399 0.310 1.00 0.00 H ATOM 1108 HH TYR A 63 28.748 4.940 −1.223 1.00 0.00 H ATOM 1109 N VAL A 64 36.252 9.985 1.487 1.00 0.00 N ATOM 1110 CA VAL A 64 37.390 10.780 2.001 1.00 0.00 C ATOM 1111 C VAL A 64 37.796 10.661 3.501 1.00 0.00 C ATOM 1112 O VAL A 64 37.805 11.641 4.236 1.00 0.00 O ATOM 1113 CB VAL A 64 37.382 12.233 1.427 1.00 0.00 C ATOM 1114 CG1 VAL A 64 38.764 12.917 1.477 1.00 0.00 C ATOM 1115 CG2 VAL A 64 36.822 12.356 −0.005 1.00 0.00 C ATOM 1116 H VAL A 64 36.071 10.121 0.505 1.00 0.00 H ATOM 1117 HA VAL A 64 38.223 10.298 1.492 1.00 0.00 H ATOM 1118 HB VAL A 64 36.731 12.818 2.070 1.00 0.00 H ATOM 1119 1HG1 VAL A 64 38.698 13.951 1.137 1.00 0.00 H ATOM 1120 2HG1 VAL A 64 39.177 12.947 2.485 1.00 0.00 H ATOM 1121 3HG1 VAL A 64 39.485 12.411 0.839 1.00 0.00 H ATOM 1122 1HG2 VAL A 64 36.789 13.400 −0.319 1.00 0.00 H ATOM 1123 2HG2 VAL A 64 37.450 11.828 −0.716 1.00 0.00 H ATOM 1124 3HG2 VAL A 64 35.805 11.978 −0.095 1.00 0.00 H ATOM 1125 N LYS A 65 38.219 9.460 3.913 1.00 0.00 N ATOM 1126 CA LYS A 65 38.852 9.025 5.167 1.00 0.00 C ATOM 1127 C LYS A 65 37.818 8.418 6.107 1.00 0.00 C ATOM 1128 O LYS A 65 37.863 8.615 7.317 1.00 0.00 O ATOM 1129 CB LYS A 65 39.826 10.055 5.786 1.00 0.00 C ATOM 1130 CG LYS A 65 40.764 9.420 6.853 1.00 0.00 C ATOM 1131 CD LYS A 65 41.004 10.231 8.150 1.00 0.00 C ATOM 1132 CE LYS A 65 39.793 10.460 9.091 1.00 0.00 C ATOM 1133 NZ LYS A 65 39.103 9.230 9.524 1.00 0.00 N ATOM 1134 H LYS A 65 38.120 8.731 3.206 1.00 0.00 H ATOM 1135 HA LYS A 65 39.457 8.173 4.866 1.00 0.00 H ATOM 1136 1HB LYS A 65 40.431 10.528 5.012 1.00 0.00 H ATOM 1137 2HB LYS A 65 39.244 10.858 6.237 1.00 0.00 H ATOM 1138 1HG LYS A 65 40.428 8.422 7.132 1.00 0.00 H ATOM 1139 2HG LYS A 65 41.730 9.245 6.377 1.00 0.00 H ATOM 1140 1HD LYS A 65 41.787 9.731 8.721 1.00 0.00 H ATOM 1141 2HD LYS A 65 41.420 11.203 7.881 1.00 0.00 H ATOM 1142 1HE LYS A 65 40.124 10.995 9.982 1.00 0.00 H ATOM 1143 2HE LYS A 65 39.057 11.104 8.609 1.00 0.00 H ATOM 1144 1HZ LYS A 65 38.379 9.437 10.190 1.00 0.00 H ATOM 1145 2HZ LYS A 65 38.628 8.819 8.716 1.00 0.00 H ATOM 1146 3HZ LYS A 65 39.652 8.481 9.942 1.00 0.00 H ATOM 1147 N VAL A 66 36.824 7.781 5.483 1.00 0.00 N ATOM 1148 CA VAL A 66 35.530 7.394 6.000 1.00 0.00 C ATOM 1149 C VAL A 66 34.843 8.675 6.543 1.00 0.00 C ATOM 1150 O VAL A 66 34.370 8.743 7.668 1.00 0.00 O ATOM 1151 CB VAL A 66 35.626 6.096 6.858 1.00 0.00 C ATOM 1152 CG1 VAL A 66 36.229 6.214 8.270 1.00 0.00 C ATOM 1153 CG2 VAL A 66 34.330 5.260 6.777 1.00 0.00 C ATOM 1154 H VAL A 66 36.860 7.792 4.472 1.00 0.00 H ATOM 1155 HA VAL A 66 34.966 7.128 5.111 1.00 0.00 H ATOM 1156 HB VAL A 66 36.338 5.455 6.339 1.00 0.00 H ATOM 1157 1HG1 VAL A 66 36.035 5.319 8.861 1.00 0.00 H ATOM 1158 2HG1 VAL A 66 37.313 6.305 8.218 1.00 0.00 H ATOM 1159 3HG1 VAL A 66 35.867 7.074 8.828 1.00 0.00 H ATOM 1160 1HG2 VAL A 66 34.311 4.459 7.517 1.00 0.00 H ATOM 1161 2HG2 VAL A 66 33.428 5.858 6.889 1.00 0.00 H ATOM 1162 3HG2 VAL A 66 34.251 4.785 5.798 1.00 0.00 H ATOM 1163 N TYR A 67 34.848 9.756 5.738 1.00 0.00 N ATOM 1164 CA TYR A 67 34.322 11.069 6.132 1.00 0.00 C ATOM 1165 C TYR A 67 32.819 11.051 6.417 1.00 0.00 C ATOM 1166 O TYR A 67 32.326 11.885 7.165 1.00 0.00 O ATOM 1167 CB TYR A 67 34.697 12.196 5.139 1.00 0.00 C ATOM 1168 CG TYR A 67 34.164 12.335 3.716 1.00 0.00 C ATOM 1169 CD1 TYR A 67 33.388 11.353 3.067 1.00 0.00 C ATOM 1170 CD2 TYR A 67 34.458 13.533 3.028 1.00 0.00 C ATOM 1171 CE1 TYR A 67 32.949 11.553 1.744 1.00 0.00 C ATOM 1172 CE2 TYR A 67 34.039 13.724 1.698 1.00 0.00 C ATOM 1173 CZ TYR A 67 33.296 12.724 1.049 1.00 0.00 C ATOM 1174 OH TYR A 67 32.935 12.871 −0.256 1.00 0.00 O ATOM 1175 H TYR A 67 35.262 9.646 4.817 1.00 0.00 H ATOM 1176 HA TYR A 67 34.801 11.316 7.082 1.00 0.00 H ATOM 1177 1HB TYR A 67 34.412 13.124 5.626 1.00 0.00 H ATOM 1178 2HB TYR A 67 35.772 12.280 5.112 1.00 0.00 H ATOM 1179 HD1 TYR A 67 33.130 10.434 3.560 1.00 0.00 H ATOM 1180 HD2 TYR A 67 35.042 14.303 3.510 1.00 0.00 H ATOM 1181 HE1 TYR A 67 32.350 10.800 1.256 1.00 0.00 H ATOM 1182 HE2 TYR A 67 34.319 14.627 1.178 1.00 0.00 H ATOM 1183 HH TYR A 67 33.104 13.736 −0.596 1.00 0.00 H ATOM 1184 N MET A 68 32.124 10.065 5.852 1.00 0.00 N ATOM 1185 CA MET A 68 30.744 9.690 6.035 1.00 0.00 C ATOM 1186 C MET A 68 30.441 8.723 4.888 1.00 0.00 C ATOM 1187 O MET A 68 30.898 8.930 3.764 1.00 0.00 O ATOM 1188 CB MET A 68 29.784 10.892 5.880 1.00 0.00 C ATOM 1189 CG MET A 68 28.370 10.646 6.439 1.00 0.00 C ATOM 1190 SD MET A 68 27.014 11.604 5.695 1.00 0.00 S ATOM 1191 CE MET A 68 25.911 11.825 7.122 1.00 0.00 C ATOM 1192 H MET A 68 32.636 9.473 5.216 1.00 0.00 H ATOM 1193 HA MET A 68 30.650 9.207 7.010 1.00 0.00 H ATOM 1194 1HB MET A 68 30.137 11.805 6.347 1.00 0.00 H ATOM 1195 2HB MET A 68 29.699 11.117 4.817 1.00 0.00 H ATOM 1196 1HG MET A 68 28.103 9.601 6.331 1.00 0.00 H ATOM 1197 2HG MET A 68 28.390 10.861 7.503 1.00 0.00 H ATOM 1198 1HE MET A 68 25.096 12.506 6.879 1.00 0.00 H ATOM 1199 2HE MET A 68 25.479 10.879 7.443 1.00 0.00 H ATOM 1200 3HE MET A 68 26.445 12.251 7.967 1.00 0.00 H ATOM 1201 N TYR A 69 29.594 7.729 5.137 1.00 0.00 N ATOM 1202 CA TYR A 69 28.804 7.093 4.098 1.00 0.00 C ATOM 1203 C TYR A 69 27.544 6.609 4.753 1.00 0.00 C ATOM 1204 O TYR A 69 27.522 5.618 5.476 1.00 0.00 O ATOM 1205 CB TYR A 69 29.525 5.998 3.347 1.00 0.00 C ATOM 1206 CG TYR A 69 29.772 4.655 4.032 1.00 0.00 C ATOM 1207 CD1 TYR A 69 30.607 4.559 5.168 1.00 0.00 C ATOM 1208 CD2 TYR A 69 29.092 3.507 3.573 1.00 0.00 C ATOM 1209 CE1 TYR A 69 30.686 3.349 5.888 1.00 0.00 C ATOM 1210 CE2 TYR A 69 29.176 2.300 4.292 1.00 0.00 C ATOM 1211 CZ TYR A 69 29.938 2.231 5.469 1.00 0.00 C ATOM 1212 OH TYR A 69 29.930 1.082 6.203 1.00 0.00 O ATOM 1213 H TYR A 69 29.306 7.547 6.087 1.00 0.00 H ATOM 1214 HA TYR A 69 28.545 7.859 3.361 1.00 0.00 H ATOM 1215 1HB TYR A 69 28.993 5.815 2.413 1.00 0.00 H ATOM 1216 2HB TYR A 69 30.497 6.385 3.056 1.00 0.00 H ATOM 1217 HD1 TYR A 69 31.150 5.423 5.520 1.00 0.00 H ATOM 1218 HD2 TYR A 69 28.463 3.557 2.698 1.00 0.00 H ATOM 1219 HE1 TYR A 69 31.298 3.290 6.775 1.00 0.00 H ATOM 1220 HE2 TYR A 69 28.630 1.433 3.956 1.00 0.00 H ATOM 1221 HH TYR A 69 29.218 0.504 5.969 1.00 0.00 H ATOM 1222 N GLN A 70 26.495 7.372 4.518 1.00 0.00 N ATOM 1223 CA GLN A 70 25.164 7.149 5.013 1.00 0.00 C ATOM 1224 C GLN A 70 24.261 7.124 3.781 1.00 0.00 C ATOM 1225 O GLN A 70 23.098 7.517 3.842 1.00 0.00 O ATOM 1226 CB GLN A 70 24.855 8.198 6.092 1.00 0.00 C ATOM 1227 CG GLN A 70 25.633 8.030 7.416 1.00 0.00 C ATOM 1228 CD GLN A 70 25.685 6.608 7.969 1.00 0.00 C ATOM 1229 OE1 GLN A 70 24.700 5.893 7.959 1.00 0.00 O ATOM 1230 NE2 GLN A 70 26.843 6.149 8.410 1.00 0.00 N ATOM 1231 H GLN A 70 26.610 8.152 3.889 1.00 0.00 H ATOM 1232 HA GLN A 70 25.061 6.154 5.448 1.00 0.00 H ATOM 1233 1HB GLN A 70 25.062 9.187 5.690 1.00 0.00 H ATOM 1234 2HB GLN A 70 23.795 8.215 6.320 1.00 0.00 H ATOM 1235 1HG GLN A 70 26.651 8.371 7.271 1.00 0.00 H ATOM 1236 2HG GLN A 70 25.182 8.667 8.177 1.00 0.00 H ATOM 1237 1HE2 GLN A 70 26.883 5.182 8.700 1.00 0.00 H ATOM 1238 2HE2 GLN A 70 27.682 6.691 8.331 1.00 0.00 H ATOM 1239 N LEU A 71 24.798 6.556 2.679 1.00 0.00 N ATOM 1240 CA LEU A 71 23.976 6.013 1.599 1.00 0.00 C ATOM 1241 C LEU A 71 23.086 4.897 2.171 1.00 0.00 C ATOM 1242 O LEU A 71 21.887 4.842 1.894 1.00 0.00 O ATOM 1243 CB LEU A 71 24.849 5.432 0.480 1.00 0.00 C ATOM 1244 CG LEU A 71 24.220 4.443 −0.539 1.00 0.00 C ATOM 1245 CD1 LEU A 71 22.997 5.019 −1.264 1.00 0.00 C ATOM 1246 CD2 LEU A 71 25.278 3.979 −1.553 1.00 0.00 C ATOM 1247 H LEU A 71 25.763 6.267 2.715 1.00 0.00 H ATOM 1248 HA LEU A 71 23.343 6.818 1.223 1.00 0.00 H ATOM 1249 1HB LEU A 71 25.285 6.268 −0.069 1.00 0.00 H ATOM 1250 2HB LEU A 71 25.697 4.918 0.936 1.00 0.00 H ATOM 1251 HG LEU A 71 23.894 3.542 −0.016 1.00 0.00 H ATOM 1252 1HD1 LEU A 71 22.648 4.332 −2.032 1.00 0.00 H ATOM 1253 2HD1 LEU A 71 22.159 5.197 −0.593 1.00 0.00 H ATOM 1254 3HD1 LEU A 71 23.227 5.967 −1.735 1.00 0.00 H ATOM 1255 1HD2 LEU A 71 24.850 3.291 −2.282 1.00 0.00 H ATOM 1256 2HD2 LEU A 71 25.698 4.821 −2.101 1.00 0.00 H ATOM 1257 3HD2 LEU A 71 26.100 3.461 −1.058 1.00 0.00 H ATOM 1258 N PHE A 72 23.669 4.014 2.978 1.00 0.00 N ATOM 1259 CA PHE A 72 22.887 2.929 3.550 1.00 0.00 C ATOM 1260 C PHE A 72 21.783 3.448 4.475 1.00 0.00 C ATOM 1261 O PHE A 72 20.694 2.875 4.527 1.00 0.00 O ATOM 1262 CB PHE A 72 23.811 1.940 4.261 1.00 0.00 C ATOM 1263 CG PHE A 72 24.631 1.149 3.255 1.00 0.00 C ATOM 1264 CD1 PHE A 72 25.983 1.471 3.022 1.00 0.00 C ATOM 1265 CD2 PHE A 72 24.018 0.127 2.498 1.00 0.00 C ATOM 1266 CE1 PHE A 72 26.716 0.775 2.039 1.00 0.00 C ATOM 1267 CE2 PHE A 72 24.753 −0.576 1.524 1.00 0.00 C ATOM 1268 CZ PHE A 72 26.103 −0.249 1.294 1.00 0.00 C ATOM 1269 H PHE A 72 24.669 4.023 3.100 1.00 0.00 H ATOM 1270 HA PHE A 72 22.361 2.425 2.738 1.00 0.00 H ATOM 1271 1HB PHE A 72 24.464 2.448 4.972 1.00 0.00 H ATOM 1272 2HB PHE A 72 23.221 1.225 4.836 1.00 0.00 H ATOM 1273 HD1 PHE A 72 26.452 2.262 3.587 1.00 0.00 H ATOM 1274 HD2 PHE A 72 22.977 −0.111 2.652 1.00 0.00 H ATOM 1275 HE1 PHE A 72 27.748 1.029 1.847 1.00 0.00 H ATOM 1276 HE2 PHE A 72 24.278 −1.354 0.945 1.00 0.00 H ATOM 1277 HZ PHE A 72 26.665 −0.774 0.536 1.00 0.00 H ATOM 1278 N ARG A 73 22.042 4.543 5.190 1.00 0.00 N ATOM 1279 CA ARG A 73 21.023 5.123 6.065 1.00 0.00 C ATOM 1280 C ARG A 73 19.863 5.618 5.211 1.00 0.00 C ATOM 1281 O ARG A 73 18.701 5.395 5.551 1.00 0.00 O ATOM 1282 CB ARG A 73 21.600 6.290 6.862 1.00 0.00 C ATOM 1283 CG ARG A 73 21.762 5.931 8.354 1.00 0.00 C ATOM 1284 CD ARG A 73 22.007 7.156 9.258 1.00 0.00 C ATOM 1285 NE ARG A 73 20.729 7.639 9.796 1.00 0.00 N ATOM 1286 CZ ARG A 73 20.446 8.720 10.525 1.00 0.00 C ATOM 1287 NH1 ARG A 73 21.407 9.585 10.854 1.00 0.00 N ATOM 1288 NH2 ARG A 73 19.187 8.918 10.915 1.00 0.00 N ATOM 1289 H ARG A 73 22.927 5.004 5.078 1.00 0.00 H ATOM 1290 HA ARG A 73 20.630 4.363 6.744 1.00 0.00 H ATOM 1291 1HB ARG A 73 22.556 6.581 6.450 1.00 0.00 H ATOM 1292 2HB ARG A 73 20.964 7.175 6.800 1.00 0.00 H ATOM 1293 1HG ARG A 73 20.877 5.404 8.698 1.00 0.00 H ATOM 1294 2HG ARG A 73 22.535 5.180 8.490 1.00 0.00 H ATOM 1295 1HD ARG A 73 22.639 6.873 10.101 1.00 0.00 H ATOM 1296 2HD ARG A 73 22.524 7.948 8.715 1.00 0.00 H ATOM 1297 HE ARG A 73 19.912 7.024 9.514 1.00 0.00 H ATOM 1298 1HH1 ARG A 73 21.231 10.453 11.362 1.00 0.00 H ATOM 1299 2HH1 ARG A 73 22.333 9.436 10.491 1.00 0.00 H ATOM 1300 1HH2 ARG A 73 18.885 9.645 11.548 1.00 0.00 H ATOM 1301 2HH2 ARG A 73 18.447 8.208 10.670 1.00 0.00 H ATOM 1302 N SER A 74 20.164 6.293 4.099 1.00 0.00 N ATOM 1303 CA SER A 74 19.100 6.791 3.232 1.00 0.00 C ATOM 1304 C SER A 74 18.268 5.637 2.653 1.00 0.00 C ATOM 1305 O SER A 74 17.046 5.765 2.520 1.00 0.00 O ATOM 1306 CB SER A 74 19.666 7.677 2.099 1.00 0.00 C ATOM 1307 OG SER A 74 20.397 7.033 1.078 1.00 0.00 O ATOM 1308 H SER A 74 21.123 6.405 3.799 1.00 0.00 H ATOM 1309 HA SER A 74 18.439 7.409 3.844 1.00 0.00 H ATOM 1310 1HB SER A 74 18.833 8.185 1.615 1.00 0.00 H ATOM 1311 2HB SER A 74 20.291 8.459 2.527 1.00 0.00 H ATOM 1312 HG SER A 74 20.710 7.685 0.470 1.00 0.00 H ATOM 1313 N LEU A 75 18.922 4.519 2.322 1.00 0.00 N ATOM 1314 CA LEU A 75 18.229 3.346 1.778 1.00 0.00 C ATOM 1315 C LEU A 75 17.383 2.665 2.868 1.00 0.00 C ATOM 1316 O LEU A 75 16.260 2.226 2.602 1.00 0.00 O ATOM 1317 CB LEU A 75 19.240 2.343 1.202 1.00 0.00 C ATOM 1318 CG LEU A 75 19.900 2.767 −0.124 1.00 0.00 C ATOM 1319 CD1 LEU A 75 21.031 1.794 −0.501 1.00 0.00 C ATOM 1320 CD2 LEU A 75 18.871 2.866 −1.261 1.00 0.00 C ATOM 1321 H LEU A 75 19.937 4.556 2.305 1.00 0.00 H ATOM 1322 HA LEU A 75 17.556 3.645 0.984 1.00 0.00 H ATOM 1323 1HB LEU A 75 20.016 2.161 1.945 1.00 0.00 H ATOM 1324 2HB LEU A 75 18.749 1.381 1.045 1.00 0.00 H ATOM 1325 HG LEU A 75 20.349 3.752 0.007 1.00 0.00 H ATOM 1326 1HD1 LEU A 75 21.518 2.101 −1.427 1.00 0.00 H ATOM 1327 2HD1 LEU A 75 21.799 1.762 0.273 1.00 0.00 H ATOM 1328 3HD1 LEU A 75 20.656 0.781 −0.647 1.00 0.00 H ATOM 1329 1HD2 LEU A 75 19.361 2.908 −2.231 1.00 0.00 H ATOM 1330 2HD2 LEU A 75 18.200 2.007 −1.279 1.00 0.00 H ATOM 1331 3HD2 LEU A 75 18.259 3.763 −1.174 1.00 0.00 H ATOM 1332 N ALA A 76 17.925 2.563 4.082 1.00 0.00 N ATOM 1333 CA ALA A 76 17.172 1.977 5.193 1.00 0.00 C ATOM 1334 C ALA A 76 15.882 2.789 5.350 1.00 0.00 C ATOM 1335 O ALA A 76 14.789 2.238 5.498 1.00 0.00 O ATOM 1336 CB ALA A 76 17.992 2.036 6.488 1.00 0.00 C ATOM 1337 H ALA A 76 18.867 2.913 4.241 1.00 0.00 H ATOM 1338 HA ALA A 76 16.916 0.942 4.958 1.00 0.00 H ATOM 1339 1HB ALA A 76 17.440 1.590 7.317 1.00 0.00 H ATOM 1340 2HB ALA A 76 18.934 1.497 6.392 1.00 0.00 H ATOM 1341 3HB ALA A 76 18.232 3.061 6.775 1.00 0.00 H ATOM 1342 N TYR A 77 16.011 4.107 5.296 1.00 0.00 N ATOM 1343 CA TYR A 77 14.859 4.969 5.441 1.00 0.00 C ATOM 1344 C TYR A 77 13.813 4.783 4.320 1.00 0.00 C ATOM 1345 O TYR A 77 12.643 4.536 4.605 1.00 0.00 O ATOM 1346 CB TYR A 77 15.312 6.433 5.515 1.00 0.00 C ATOM 1347 CG TYR A 77 14.207 7.469 5.627 1.00 0.00 C ATOM 1348 CD1 TYR A 77 13.896 8.285 4.520 1.00 0.00 C ATOM 1349 CD2 TYR A 77 13.479 7.603 6.827 1.00 0.00 C ATOM 1350 CE1 TYR A 77 12.852 9.222 4.611 1.00 0.00 C ATOM 1351 CE2 TYR A 77 12.425 8.533 6.911 1.00 0.00 C ATOM 1352 CZ TYR A 77 12.107 9.335 5.798 1.00 0.00 C ATOM 1353 OH TYR A 77 11.072 10.217 5.857 1.00 0.00 O ATOM 1354 H TYR A 77 16.940 4.516 5.225 1.00 0.00 H ATOM 1355 HA TYR A 77 14.372 4.724 6.388 1.00 0.00 H ATOM 1356 1HB TYR A 77 15.973 6.564 6.374 1.00 0.00 H ATOM 1357 2HB TYR A 77 15.930 6.678 4.652 1.00 0.00 H ATOM 1358 HD1 TYR A 77 14.451 8.192 3.597 1.00 0.00 H ATOM 1359 HD2 TYR A 77 13.719 6.987 7.682 1.00 0.00 H ATOM 1360 HE1 TYR A 77 12.623 9.848 3.765 1.00 0.00 H ATOM 1361 HE2 TYR A 77 11.867 8.620 7.832 1.00 0.00 H ATOM 1362 HH TYR A 77 10.640 10.215 6.701 1.00 0.00 H ATOM 1363 N ILE A 78 14.204 4.890 3.052 1.00 0.00 N ATOM 1364 CA ILE A 78 13.190 4.728 2.010 1.00 0.00 C ATOM 1365 C ILE A 78 12.623 3.314 1.931 1.00 0.00 C ATOM 1366 O ILE A 78 11.437 3.144 1.666 1.00 0.00 O ATOM 1367 CB ILE A 78 13.693 5.151 0.601 1.00 0.00 C ATOM 1368 CG1 ILE A 78 14.912 4.378 0.051 1.00 0.00 C ATOM 1369 CG2 ILE A 78 13.987 6.665 0.608 1.00 0.00 C ATOM 1370 CD1 ILE A 78 15.084 4.492 −1.469 1.00 0.00 C ATOM 1371 H ILE A 78 15.173 5.076 2.809 1.00 0.00 H ATOM 1372 HA ILE A 78 12.345 5.380 2.249 1.00 0.00 H ATOM 1373 HB ILE A 78 12.870 4.986 −0.096 1.00 0.00 H ATOM 1374 1HG1 ILE A 78 15.809 4.743 0.539 1.00 0.00 H ATOM 1375 2HG1 ILE A 78 14.849 3.315 0.275 1.00 0.00 H ATOM 1376 1HG2 ILE A 78 14.321 7.017 −0.363 1.00 0.00 H ATOM 1377 2HG2 ILE A 78 13.099 7.237 0.874 1.00 0.00 H ATOM 1378 3HG2 ILE A 78 14.771 6.920 1.321 1.00 0.00 H ATOM 1379 1HD1 ILE A 78 15.883 3.830 −1.804 1.00 0.00 H ATOM 1380 2HD1 ILE A 78 14.178 4.190 −1.995 1.00 0.00 H ATOM 1381 3HD1 ILE A 78 15.340 5.505 −1.779 1.00 0.00 H ATOM 1382 N HIS A 79 13.451 2.305 2.175 1.00 0.00 N ATOM 1383 CA HIS A 79 12.987 0.922 2.108 1.00 0.00 C ATOM 1384 C HIS A 79 11.953 0.606 3.189 1.00 0.00 C ATOM 1385 O HIS A 79 11.100 −0.275 3.001 1.00 0.00 O ATOM 1386 CB HIS A 79 14.161 −0.047 2.236 1.00 0.00 C ATOM 1387 CG HIS A 79 13.864 −1.526 2.385 1.00 0.00 C ATOM 1388 ND1 HIS A 79 13.122 −2.271 1.479 1.00 0.00 N ATOM 1389 CD2 HIS A 79 14.220 −2.413 3.378 1.00 0.00 C ATOM 1390 CE1 HIS A 79 13.040 −3.514 1.955 1.00 0.00 C ATOM 1391 NE2 HIS A 79 13.693 −3.675 3.099 1.00 0.00 N ATOM 1392 H HIS A 79 14.443 2.476 2.335 1.00 0.00 H ATOM 1393 HA HIS A 79 12.495 0.756 1.146 1.00 0.00 H ATOM 1394 1HB HIS A 79 14.823 0.076 1.378 1.00 0.00 H ATOM 1395 2HB HIS A 79 14.751 0.228 3.112 1.00 0.00 H ATOM 1396 HD1 HIS A 79 12.707 −1.975 0.598 1.00 0.00 H ATOM 1397 HD2 HIS A 79 14.804 −2.238 4.271 1.00 0.00 H ATOM 1398 HE1 HIS A 79 12.511 −4.311 1.450 1.00 0.00 H ATOM 1399 N SER A 80 12.023 1.318 4.312 1.00 0.00 N ATOM 1400 CA SER A 80 11.084 1.084 5.402 1.00 0.00 C ATOM 1401 C SER A 80 9.676 1.506 4.987 1.00 0.00 C ATOM 1402 O SER A 80 8.695 1.131 5.630 1.00 0.00 O ATOM 1403 CB SER A 80 11.533 1.823 6.677 1.00 0.00 C ATOM 1404 OG SER A 80 10.782 1.346 7.780 1.00 0.00 O ATOM 1405 H SER A 80 12.773 1.990 4.436 1.00 0.00 H ATOM 1406 HA SER A 80 11.068 0.014 5.623 1.00 0.00 H ATOM 1407 1HB SER A 80 12.587 1.639 6.884 1.00 0.00 H ATOM 1408 2HB SER A 80 11.411 2.903 6.578 1.00 0.00 H ATOM 1409 HG SER A 80 9.860 1.489 7.601 1.00 0.00 H ATOM 1410 N GLN A 81 9.573 2.298 3.922 1.00 0.00 N ATOM 1411 CA GLN A 81 8.269 2.719 3.408 1.00 0.00 C ATOM 1412 C GLN A 81 7.948 1.872 2.179 1.00 0.00 C ATOM 1413 O GLN A 81 6.979 2.141 1.477 1.00 0.00 O ATOM 1414 CB GLN A 81 8.280 4.188 2.980 1.00 0.00 C ATOM 1415 CG GLN A 81 8.735 5.190 4.058 1.00 0.00 C ATOM 1416 CD GLN A 81 8.640 6.629 3.549 1.00 0.00 C ATOM 1417 OE1 GLN A 81 8.018 6.885 2.519 1.00 0.00 O ATOM 1418 NE2 GLN A 81 9.245 7.575 4.253 1.00 0.00 N ATOM 1419 H GLN A 81 10.407 2.601 3.433 1.00 0.00 H ATOM 1420 HA GLN A 81 7.465 2.581 4.133 1.00 0.00 H ATOM 1421 1HB GLN A 81 8.930 4.309 2.111 1.00 0.00 H ATOM 1422 2HB GLN A 81 7.273 4.450 2.651 1.00 0.00 H ATOM 1423 1HG GLN A 81 8.119 5.089 4.952 1.00 0.00 H ATOM 1424 2HG GLN A 81 9.766 4.987 4.352 1.00 0.00 H ATOM 1425 1HE2 GLN A 81 9.181 8.540 3.963 1.00 0.00 H ATOM 1426 2HE2 GLN A 81 9.791 7.343 5.069 1.00 0.00 H ATOM 1427 N GLY A 82 8.772 0.858 1.920 1.00 0.00 N ATOM 1428 CA GLY A 82 8.566 0.001 0.764 1.00 0.00 C ATOM 1429 C GLY A 82 8.995 0.655 −0.543 1.00 0.00 C ATOM 1430 O GLY A 82 8.752 0.112 −1.624 1.00 0.00 O ATOM 1431 H GLY A 82 9.551 0.652 2.537 1.00 0.00 H ATOM 1432 1HA GLY A 82 9.153 −0.908 0.898 1.00 0.00 H ATOM 1433 2HA GLY A 82 7.522 −0.309 0.687 1.00 0.00 H ATOM 1434 N VAL A 83 9.643 1.820 −0.450 1.00 0.00 N ATOM 1435 CA VAL A 83 10.092 2.552 −1.638 1.00 0.00 C ATOM 1436 C VAL A 83 11.506 2.148 −2.052 1.00 0.00 C ATOM 1437 O VAL A 83 12.435 2.147 −1.237 1.00 0.00 O ATOM 1438 CB VAL A 83 10.061 4.087 −1.404 1.00 0.00 C ATOM 1439 CG1 VAL A 83 10.542 4.928 −2.611 1.00 0.00 C ATOM 1440 CG2 VAL A 83 8.651 4.565 −1.012 1.00 0.00 C ATOM 1441 H VAL A 83 9.926 2.176 0.454 1.00 0.00 H ATOM 1442 HA VAL A 83 9.429 2.357 −2.474 1.00 0.00 H ATOM 1443 HB VAL A 83 10.720 4.315 −0.567 1.00 0.00 H ATOM 1444 1HG1 VAL A 83 10.440 5.994 −2.412 1.00 0.00 H ATOM 1445 2HG1 VAL A 83 11.595 4.759 −2.839 1.00 0.00 H ATOM 1446 3HG1 VAL A 83 9.967 4.702 −3.510 1.00 0.00 H ATOM 1447 1HG2 VAL A 83 8.657 5.629 −0.779 1.00 0.00 H ATOM 1448 2HG2 VAL A 83 7.944 4.399 −1.825 1.00 0.00 H ATOM 1449 3HG2 VAL A 83 8.271 4.040 −0.136 1.00 0.00 H ATOM 1450 N CYS A 84 11.646 1.803 −3.328 1.00 0.00 N ATOM 1451 CA CYS A 84 12.929 1.405 −3.912 1.00 0.00 C ATOM 1452 C CYS A 84 13.357 2.555 −4.830 1.00 0.00 C ATOM 1453 O CYS A 84 12.552 3.065 −5.601 1.00 0.00 O ATOM 1454 CB CYS A 84 12.756 0.107 −4.717 1.00 0.00 C ATOM 1455 SG CYS A 84 14.299 −0.572 −5.377 1.00 0.00 S ATOM 1456 H CYS A 84 10.849 1.850 −3.955 1.00 0.00 H ATOM 1457 HA CYS A 84 13.697 1.244 −3.150 1.00 0.00 H ATOM 1458 1HB CYS A 84 12.315 −0.652 −4.073 1.00 0.00 H ATOM 1459 2HB CYS A 84 12.061 0.259 −5.545 1.00 0.00 H ATOM 1460 HG CYS A 84 13.776 −1.680 −5.909 1.00 0.00 H ATOM 1461 N HIS A 85 14.624 2.959 −4.743 1.00 0.00 N ATOM 1462 CA HIS A 85 15.132 4.059 −5.555 1.00 0.00 C ATOM 1463 C HIS A 85 15.257 3.656 −7.029 1.00 0.00 C ATOM 1464 O HIS A 85 14.853 4.407 −7.911 1.00 0.00 O ATOM 1465 CB HIS A 85 16.485 4.523 −5.001 1.00 0.00 C ATOM 1466 CG HIS A 85 16.989 5.841 −5.485 1.00 0.00 C ATOM 1467 ND1 HIS A 85 16.412 7.048 −5.137 1.00 0.00 N ATOM 1468 CD2 HIS A 85 18.067 6.145 −6.275 1.00 0.00 C ATOM 1469 CE1 HIS A 85 17.156 7.998 −5.697 1.00 0.00 C ATOM 1470 NE2 HIS A 85 18.174 7.521 −6.407 1.00 0.00 N ATOM 1471 H HIS A 85 15.297 2.385 −4.209 1.00 0.00 H ATOM 1472 HA HIS A 85 14.436 4.898 −5.492 1.00 0.00 H ATOM 1473 1HB HIS A 85 16.439 4.588 −3.916 1.00 0.00 H ATOM 1474 2HB HIS A 85 17.245 3.766 −5.202 1.00 0.00 H ATOM 1475 HD1 HIS A 85 15.620 7.227 −4.537 1.00 0.00 H ATOM 1476 HD2 HIS A 85 18.790 5.485 −6.720 1.00 0.00 H ATOM 1477 HE1 HIS A 85 16.933 9.046 −5.573 1.00 0.00 H ATOM 1478 N ARG A 86 15.826 2.474 −7.271 1.00 0.00 N ATOM 1479 CA ARG A 86 15.990 1.909 −8.614 1.00 0.00 C ATOM 1480 C ARG A 86 17.013 2.578 −9.543 1.00 0.00 C ATOM 1481 O ARG A 86 17.134 2.176 −10.706 1.00 0.00 O ATOM 1482 CB ARG A 86 14.624 1.825 −9.320 1.00 0.00 C ATOM 1483 CG ARG A 86 13.550 1.105 −8.483 1.00 0.00 C ATOM 1484 CD ARG A 86 12.422 0.467 −9.290 1.00 0.00 C ATOM 1485 NE ARG A 86 11.665 1.478 −10.035 1.00 0.00 N ATOM 1486 CZ ARG A 86 10.744 1.261 −10.974 1.00 0.00 C ATOM 1487 NH1 ARG A 86 10.449 0.031 −11.393 1.00 0.00 N ATOM 1488 NH2 ARG A 86 10.115 2.313 −11.492 1.00 0.00 N ATOM 1489 H ARG A 86 16.227 1.936 −6.492 1.00 0.00 H ATOM 1490 HA ARG A 86 16.362 0.896 −8.456 1.00 0.00 H ATOM 1491 1HB ARG A 86 14.264 2.797 −9.653 1.00 0.00 H ATOM 1492 2HB ARG A 86 14.762 1.257 −10.240 1.00 0.00 H ATOM 1493 1HG ARG A 86 14.033 0.307 −7.929 1.00 0.00 H ATOM 1494 2HG ARG A 86 13.136 1.781 −7.738 1.00 0.00 H ATOM 1495 1HD ARG A 86 12.827 −0.292 −9.957 1.00 0.00 H ATOM 1496 2HD ARG A 86 11.737 −0.048 −8.618 1.00 0.00 H ATOM 1497 HE ARG A 86 11.896 2.448 −9.790 1.00 0.00 H ATOM 1498 1HH1 ARG A 86 9.764 −0.137 −12.109 1.00 0.00 H ATOM 1499 2HH1 ARG A 86 10.982 −0.786 −11.077 1.00 0.00 H ATOM 1500 1HH2 ARG A 86 9.405 2.241 −12.203 1.00 0.00 H ATOM 1501 2HH2 ARG A 86 10.358 3.238 −11.160 1.00 0.00 H ATOM 1502 N ASP A 87 17.745 3.580 −9.046 1.00 0.00 N ATOM 1503 CA ASP A 87 18.783 4.240 −9.852 1.00 0.00 C ATOM 1504 C ASP A 87 19.949 4.701 −8.976 1.00 0.00 C ATOM 1505 O ASP A 87 20.403 5.848 −9.076 1.00 0.00 O ATOM 1506 CB ASP A 87 18.214 5.444 −10.610 1.00 0.00 C ATOM 1507 CG ASP A 87 19.060 6.043 −11.732 1.00 0.00 C ATOM 1508 OD1 ASP A 87 19.735 5.304 −12.486 1.00 0.00 O ATOM 1509 OD2 ASP A 87 19.023 7.279 −11.916 1.00 0.00 O ATOM 1510 H ASP A 87 17.565 3.885 −8.103 1.00 0.00 H ATOM 1511 HA ASP A 87 19.206 3.508 −10.541 1.00 0.00 H ATOM 1512 1HB ASP A 87 17.333 5.100 −11.141 1.00 0.00 H ATOM 1513 2HB ASP A 87 17.887 6.231 −9.928 1.00 0.00 H ATOM 1514 N ILE A 88 20.425 3.810 −8.110 1.00 0.00 N ATOM 1515 CA ILE A 88 21.543 4.138 −7.232 1.00 0.00 C ATOM 1516 C ILE A 88 22.832 4.120 −8.058 1.00 0.00 C ATOM 1517 O ILE A 88 23.188 3.100 −8.662 1.00 0.00 O ATOM 1518 CB ILE A 88 21.658 3.132 −6.054 1.00 0.00 C ATOM 1519 CG1 ILE A 88 20.408 3.167 −5.143 1.00 0.00 C ATOM 1520 CG2 ILE A 88 22.949 3.219 −5.205 1.00 0.00 C ATOM 1521 CD1 ILE A 88 20.262 4.451 −4.312 1.00 0.00 C ATOM 1522 H ILE A 88 20.069 2.866 −8.115 1.00 0.00 H ATOM 1523 HA ILE A 88 21.414 5.148 −6.843 1.00 0.00 H ATOM 1524 HB ILE A 88 21.633 2.155 −6.516 1.00 0.00 H ATOM 1525 1HG1 ILE A 88 19.508 3.026 −5.743 1.00 0.00 H ATOM 1526 2HG1 ILE A 88 20.426 2.310 −4.468 1.00 0.00 H ATOM 1527 1HG2 ILE A 88 22.905 2.529 −4.361 1.00 0.00 H ATOM 1528 2HG2 ILE A 88 23.837 2.952 −5.778 1.00 0.00 H ATOM 1529 3HG2 ILE A 88 23.100 4.222 −4.804 1.00 0.00 H ATOM 1530 1HD1 ILE A 88 19.282 4.501 −3.838 1.00 0.00 H ATOM 1531 2HD1 ILE A 88 21.007 4.506 −3.523 1.00 0.00 H ATOM 1532 3HD1 ILE A 88 20.364 5.345 −4.921 1.00 0.00 H ATOM 1533 N LYS A 89 23.518 5.260 −8.084 1.00 0.00 N ATOM 1534 CA LYS A 89 24.763 5.411 −8.836 1.00 0.00 C ATOM 1535 C LYS A 89 25.483 6.664 −8.328 1.00 0.00 C ATOM 1536 O LYS A 89 24.857 7.554 −7.744 1.00 0.00 O ATOM 1537 CB LYS A 89 24.462 5.537 −10.336 1.00 0.00 C ATOM 1538 CG LYS A 89 23.567 6.731 −10.738 1.00 0.00 C ATOM 1539 CD LYS A 89 22.958 6.499 −12.118 1.00 0.00 C ATOM 1540 CE LYS A 89 22.078 7.633 −12.630 1.00 0.00 C ATOM 1541 NZ LYS A 89 21.182 7.162 −13.689 1.00 0.00 N ATOM 1542 H LYS A 89 23.173 6.073 −7.592 1.00 0.00 H ATOM 1543 HA LYS A 89 25.372 4.526 −8.645 1.00 0.00 H ATOM 1544 1HB LYS A 89 25.383 5.577 −10.916 1.00 0.00 H ATOM 1545 2HB LYS A 89 23.986 4.611 −10.661 1.00 0.00 H ATOM 1546 1HG LYS A 89 22.749 6.848 −10.027 1.00 0.00 H ATOM 1547 2HG LYS A 89 24.127 7.666 −10.716 1.00 0.00 H ATOM 1548 1HD LYS A 89 23.741 6.276 −12.844 1.00 0.00 H ATOM 1549 2HD LYS A 89 22.329 5.615 −12.020 1.00 0.00 H ATOM 1550 1HE LYS A 89 21.427 7.956 −11.831 1.00 0.00 H ATOM 1551 2HE LYS A 89 22.666 8.492 −12.954 1.00 0.00 H ATOM 1552 1HZ LYS A 89 20.536 7.890 −13.937 1.00 0.00 H ATOM 1553 2HZ LYS A 89 21.667 6.786 −14.479 1.00 0.00 H ATOM 1554 3HZ LYS A 89 20.593 6.430 −13.246 1.00 0.00 H ATOM 1555 N PRO A 90 26.801 6.768 −8.572 1.00 0.00 N ATOM 1556 CA PRO A 90 27.573 7.930 −8.106 1.00 0.00 C ATOM 1557 C PRO A 90 27.009 9.304 −8.415 1.00 0.00 C ATOM 1558 O PRO A 90 27.101 10.206 −7.585 1.00 0.00 O ATOM 1559 CB PRO A 90 28.959 7.716 −8.724 1.00 0.00 C ATOM 1560 CG PRO A 90 29.095 6.226 −8.938 1.00 0.00 C ATOM 1561 CD PRO A 90 27.666 5.765 −9.193 1.00 0.00 C ATOM 1562 HA PRO A 90 27.653 7.838 −7.020 1.00 0.00 H ATOM 1563 1HB PRO A 90 29.024 8.191 −9.702 1.00 0.00 H ATOM 1564 2HB PRO A 90 29.759 8.118 −8.102 1.00 0.00 H ATOM 1565 1HG PRO A 90 29.477 5.754 −8.032 1.00 0.00 H ATOM 1566 2HG PRO A 90 29.778 5.969 −9.750 1.00 0.00 H ATOM 1567 1HD PRO A 90 27.514 4.761 −8.811 1.00 0.00 H ATOM 1568 2HD PRO A 90 27.485 5.752 −10.268 1.00 0.00 H ATOM 1569 N GLN A 91 26.427 9.465 −9.596 1.00 0.00 N ATOM 1570 CA GLN A 91 25.866 10.748 −9.998 1.00 0.00 C ATOM 1571 C GLN A 91 24.618 11.143 −9.213 1.00 0.00 C ATOM 1572 O GLN A 91 24.219 12.310 −9.215 1.00 0.00 O ATOM 1573 CB GLN A 91 25.532 10.731 −11.487 1.00 0.00 C ATOM 1574 CG GLN A 91 26.679 10.379 −12.464 1.00 0.00 C ATOM 1575 CD GLN A 91 26.976 8.881 −12.620 1.00 0.00 C ATOM 1576 OE1 GLN A 91 26.369 8.035 −11.970 1.00 0.00 O ATOM 1577 NE2 GLN A 91 27.924 8.532 −13.474 1.00 0.00 N ATOM 1578 H GLN A 91 26.372 8.686 −10.231 1.00 0.00 H ATOM 1579 HA GLN A 91 26.605 11.533 −9.820 1.00 0.00 H ATOM 1580 1HB GLN A 91 24.687 10.063 −11.667 1.00 0.00 H ATOM 1581 2HB GLN A 91 25.164 11.721 −11.761 1.00 0.00 H ATOM 1582 1HG GLN A 91 26.413 10.751 −13.454 1.00 0.00 H ATOM 1583 2HG GLN A 91 27.582 10.909 −12.176 1.00 0.00 H ATOM 1584 1HE2 GLN A 91 28.147 7.554 −13.582 1.00 0.00 H ATOM 1585 2HE2 GLN A 91 28.466 9.228 −13.962 1.00 0.00 H ATOM 1586 N ASN A 92 23.966 10.187 −8.535 1.00 0.00 N ATOM 1587 CA ASN A 92 22.717 10.385 −7.779 1.00 0.00 C ATOM 1588 C ASN A 92 23.000 10.449 −6.268 1.00 0.00 C ATOM 1589 O ASN A 92 22.083 10.630 −5.466 1.00 0.00 O ATOM 1590 CB ASN A 92 21.717 9.236 −8.079 1.00 0.00 C ATOM 1591 CG ASN A 92 21.078 9.284 −9.466 1.00 0.00 C ATOM 1592 OD1 ASN A 92 21.634 9.848 −10.406 1.00 0.00 O ATOM 1593 ND2 ASN A 92 19.925 8.643 −9.615 1.00 0.00 N ATOM 1594 H ASN A 92 24.362 9.255 −8.500 1.00 0.00 H ATOM 1595 HA ASN A 92 22.245 11.330 −8.050 1.00 0.00 H ATOM 1596 1HB ASN A 92 22.192 8.264 −7.945 1.00 0.00 H ATOM 1597 2HB ASN A 92 20.898 9.272 −7.357 1.00 0.00 H ATOM 1598 1HD2 ASN A 92 19.539 8.437 −10.542 1.00 0.00 H ATOM 1599 2HD2 ASN A 92 19.499 8.178 −8.822 1.00 0.00 H ATOM 1600 N LEU A 93 24.273 10.330 −5.867 1.00 0.00 N ATOM 1601 CA LEU A 93 24.744 10.578 −4.516 1.00 0.00 C ATOM 1602 C LEU A 93 25.438 11.942 −4.521 1.00 0.00 C ATOM 1603 O LEU A 93 26.553 12.076 −5.034 1.00 0.00 O ATOM 1604 CB LEU A 93 25.782 9.499 −4.115 1.00 0.00 C ATOM 1605 CG LEU A 93 25.321 8.040 −4.294 1.00 0.00 C ATOM 1606 CD1 LEU A 93 26.416 7.058 −3.860 1.00 0.00 C ATOM 1607 CD2 LEU A 93 23.994 7.737 −3.595 1.00 0.00 C ATOM 1608 H LEU A 93 24.979 10.238 −6.584 1.00 0.00 H ATOM 1609 HA LEU A 93 23.915 10.631 −3.812 1.00 0.00 H ATOM 1610 1HB LEU A 93 26.677 9.614 −4.725 1.00 0.00 H ATOM 1611 2HB LEU A 93 26.081 9.669 −3.081 1.00 0.00 H ATOM 1612 HG LEU A 93 25.162 7.874 −5.354 1.00 0.00 H ATOM 1613 1HD1 LEU A 93 26.122 6.032 −4.077 1.00 0.00 H ATOM 1614 2HD1 LEU A 93 27.350 7.247 −4.391 1.00 0.00 H ATOM 1615 3HD1 LEU A 93 26.623 7.130 −2.791 1.00 0.00 H ATOM 1616 1HD2 LEU A 93 23.689 6.709 −3.786 1.00 0.00 H ATOM 1617 2HD2 LEU A 93 24.069 7.886 −2.519 1.00 0.00 H ATOM 1618 3HD2 LEU A 93 23.190 8.372 −3.965 1.00 0.00 H ATOM 1619 N LEU A 94 24.784 12.954 −3.946 1.00 0.00 N ATOM 1620 CA LEU A 94 25.299 14.311 −3.840 1.00 0.00 C ATOM 1621 C LEU A 94 25.982 14.415 −2.477 1.00 0.00 C ATOM 1622 O LEU A 94 25.314 14.622 −1.466 1.00 0.00 O ATOM 1623 CB LEU A 94 24.138 15.320 −3.984 1.00 0.00 C ATOM 1624 CG LEU A 94 23.564 15.523 −5.413 1.00 0.00 C ATOM 1625 CD1 LEU A 94 23.111 14.231 −6.118 1.00 0.00 C ATOM 1626 CD2 LEU A 94 22.401 16.528 −5.387 1.00 0.00 C ATOM 1627 H LEU A 94 23.879 12.785 −3.515 1.00 0.00 H ATOM 1628 HA LEU A 94 26.012 14.535 −4.618 1.00 0.00 H ATOM 1629 1HB LEU A 94 23.333 15.068 −3.294 1.00 0.00 H ATOM 1630 2HB LEU A 94 24.505 16.290 −3.653 1.00 0.00 H ATOM 1631 HG LEU A 94 24.351 15.967 −6.023 1.00 0.00 H ATOM 1632 1HD1 LEU A 94 22.564 14.443 −7.038 1.00 0.00 H ATOM 1633 2HD1 LEU A 94 23.958 13.612 −6.410 1.00 0.00 H ATOM 1634 3HD1 LEU A 94 22.465 13.629 −5.480 1.00 0.00 H ATOM 1635 1HD2 LEU A 94 21.983 16.677 −6.384 1.00 0.00 H ATOM 1636 2HD2 LEU A 94 21.594 16.189 −4.737 1.00 0.00 H ATOM 1637 3HD2 LEU A 94 22.724 17.505 −5.033 1.00 0.00 H ATOM 1638 N VAL A 95 27.303 14.206 −2.445 1.00 0.00 N ATOM 1639 CA VAL A 95 28.135 14.399 −1.266 1.00 0.00 C ATOM 1640 C VAL A 95 28.903 15.695 −1.466 1.00 0.00 C ATOM 1641 O VAL A 95 29.496 15.888 −2.524 1.00 0.00 O ATOM 1642 CB VAL A 95 29.073 13.177 −1.038 1.00 0.00 C ATOM 1643 CG1 VAL A 95 30.182 12.994 −2.093 1.00 0.00 C ATOM 1644 CG2 VAL A 95 29.695 13.172 0.370 1.00 0.00 C ATOM 1645 H VAL A 95 27.794 14.112 −3.319 1.00 0.00 H ATOM 1646 HA VAL A 95 27.512 14.555 −0.405 1.00 0.00 H ATOM 1647 HB VAL A 95 28.440 12.292 −1.091 1.00 0.00 H ATOM 1648 1HG1 VAL A 95 30.739 12.074 −1.921 1.00 0.00 H ATOM 1649 2HG1 VAL A 95 29.770 12.962 −3.097 1.00 0.00 H ATOM 1650 3HG1 VAL A 95 30.916 13.799 −2.063 1.00 0.00 H ATOM 1651 1HG2 VAL A 95 30.266 12.260 0.544 1.00 0.00 H ATOM 1652 2HG2 VAL A 95 30.370 14.015 0.520 1.00 0.00 H ATOM 1653 3HG2 VAL A 95 28.937 13.223 1.148 1.00 0.00 H ATOM 1654 N ASP A 96 28.902 16.568 −0.458 1.00 0.00 N ATOM 1655 CA ASP A 96 29.760 17.745 −0.423 1.00 0.00 C ATOM 1656 C ASP A 96 31.022 17.364 0.385 1.00 0.00 C ATOM 1657 O ASP A 96 30.925 16.670 1.400 1.00 0.00 O ATOM 1658 CB ASP A 96 29.009 18.951 0.204 1.00 0.00 C ATOM 1659 CG ASP A 96 28.638 18.887 1.683 1.00 0.00 C ATOM 1660 OD1 ASP A 96 29.551 18.980 2.536 1.00 0.00 O ATOM 1661 OD2 ASP A 96 27.429 18.819 1.969 1.00 0.00 O ATOM 1662 H ASP A 96 28.425 16.310 0.405 1.00 0.00 H ATOM 1663 HA ASP A 96 30.011 18.034 −1.440 1.00 0.00 H ATOM 1664 1HB ASP A 96 29.612 19.848 0.077 1.00 0.00 H ATOM 1665 2HB ASP A 96 28.096 19.123 −0.360 1.00 0.00 H ATOM 1666 N PRO A 97 32.225 17.816 −0.031 1.00 0.00 N ATOM 1667 CA PRO A 97 33.453 17.689 0.767 1.00 0.00 C ATOM 1668 C PRO A 97 33.586 18.805 1.829 1.00 0.00 C ATOM 1669 O PRO A 97 34.646 18.941 2.436 1.00 0.00 O ATOM 1670 CB PRO A 97 34.573 17.803 −0.282 1.00 0.00 C ATOM 1671 CG PRO A 97 34.005 18.761 −1.322 1.00 0.00 C ATOM 1672 CD PRO A 97 32.509 18.440 −1.328 1.00 0.00 C ATOM 1673 HA PRO A 97 33.505 16.727 1.277 1.00 0.00 H ATOM 1674 1HB PRO A 97 35.528 18.142 0.122 1.00 0.00 H ATOM 1675 2HB PRO A 97 34.745 16.827 −0.737 1.00 0.00 H ATOM 1676 1HG PRO A 97 34.465 18.649 −2.305 1.00 0.00 H ATOM 1677 2HG PRO A 97 34.157 19.792 −0.998 1.00 0.00 H ATOM 1678 1HD PRO A 97 32.279 17.730 −2.123 1.00 0.00 H ATOM 1679 2HD PRO A 97 31.919 19.346 −1.485 1.00 0.00 H ATOM 1680 N ASP A 98 32.544 19.624 2.029 1.00 0.00 N ATOM 1681 CA ASP A 98 32.540 20.812 2.884 1.00 0.00 C ATOM 1682 C ASP A 98 32.192 20.409 4.327 1.00 0.00 C ATOM 1683 O ASP A 98 32.784 20.907 5.280 1.00 0.00 O ATOM 1684 CB ASP A 98 31.458 21.776 2.332 1.00 0.00 C ATOM 1685 CG ASP A 98 31.767 22.341 0.948 1.00 0.00 C ATOM 1686 OD1 ASP A 98 32.396 23.417 0.893 1.00 0.00 O ATOM 1687 OD2 ASP A 98 31.367 21.709 −0.050 1.00 0.00 O ATOM 1688 H ASP A 98 31.645 19.367 1.643 1.00 0.00 H ATOM 1689 HA ASP A 98 33.523 21.289 2.861 1.00 0.00 H ATOM 1690 1HB ASP A 98 30.478 21.303 2.299 1.00 0.00 H ATOM 1691 2HB ASP A 98 31.350 22.622 3.012 1.00 0.00 H ATOM 1692 N THR A 99 31.266 19.456 4.480 1.00 0.00 N ATOM 1693 CA THR A 99 30.768 18.913 5.736 1.00 0.00 C ATOM 1694 C THR A 99 30.887 17.374 5.793 1.00 0.00 C ATOM 1695 O THR A 99 30.665 16.798 6.857 1.00 0.00 O ATOM 1696 CB THR A 99 29.316 19.420 5.951 1.00 0.00 C ATOM 1697 OG1 THR A 99 28.409 18.931 4.984 1.00 0.00 O ATOM 1698 CG2 THR A 99 29.178 20.948 6.012 1.00 0.00 C ATOM 1699 H THR A 99 30.700 19.230 3.648 1.00 0.00 H ATOM 1700 HA THR A 99 31.378 19.282 6.562 1.00 0.00 H ATOM 1701 HB THR A 99 28.973 19.028 6.911 1.00 0.00 H ATOM 1702 HG1 THR A 99 28.715 19.099 4.080 1.00 0.00 H ATOM 1703 1HG2 THR A 99 28.153 21.236 6.248 1.00 0.00 H ATOM 1704 2HG2 THR A 99 29.820 21.362 6.789 1.00 0.00 H ATOM 1705 3HG2 THR A 99 29.441 21.420 5.066 1.00 0.00 H ATOM 1706 N ALA A 100 31.207 16.721 4.657 1.00 0.00 N ATOM 1707 CA ALA A 100 31.220 15.289 4.380 1.00 0.00 C ATOM 1708 C ALA A 100 29.804 14.694 4.410 1.00 0.00 C ATOM 1709 O ALA A 100 29.622 13.484 4.560 1.00 0.00 O ATOM 1710 CB ALA A 100 32.124 14.569 5.366 1.00 0.00 C ATOM 1711 H ALA A 100 31.293 17.307 3.837 1.00 0.00 H ATOM 1712 HA ALA A 100 31.614 15.141 3.375 1.00 0.00 H ATOM 1713 1HB ALA A 100 32.203 13.525 5.074 1.00 0.00 H ATOM 1714 2HB ALA A 100 33.121 15.007 5.385 1.00 0.00 H ATOM 1715 3HB ALA A 100 31.727 14.571 6.380 1.00 0.00 H ATOM 1716 N VAL A 101 28.802 15.550 4.248 1.00 0.00 N ATOM 1717 CA VAL A 101 27.421 15.096 4.233 1.00 0.00 C ATOM 1718 C VAL A 101 27.048 14.606 2.837 1.00 0.00 C ATOM 1719 O VAL A 101 27.361 15.253 1.834 1.00 0.00 O ATOM 1720 CB VAL A 101 26.446 16.230 4.634 1.00 0.00 C ATOM 1721 CG1 VAL A 101 24.944 15.906 4.451 1.00 0.00 C ATOM 1722 CG2 VAL A 101 26.654 16.645 6.097 1.00 0.00 C ATOM 1723 H VAL A 101 28.988 16.526 4.061 1.00 0.00 H ATOM 1724 HA VAL A 101 27.295 14.278 4.945 1.00 0.00 H ATOM 1725 HB VAL A 101 26.667 17.096 4.005 1.00 0.00 H ATOM 1726 1HG1 VAL A 101 24.321 16.709 4.846 1.00 0.00 H ATOM 1727 2HG1 VAL A 101 24.675 15.794 3.402 1.00 0.00 H ATOM 1728 3HG1 VAL A 101 24.663 14.986 4.967 1.00 0.00 H ATOM 1729 1HG2 VAL A 101 26.131 17.575 6.320 1.00 0.00 H ATOM 1730 2HG2 VAL A 101 26.274 15.879 6.769 1.00 0.00 H ATOM 1731 3HG2 VAL A 101 27.707 16.805 6.324 1.00 0.00 H ATOM 1732 N LEU A 102 26.401 13.444 2.785 1.00 0.00 N ATOM 1733 CA LEU A 102 25.948 12.860 1.525 1.00 0.00 C ATOM 1734 C LEU A 102 24.420 12.923 1.528 1.00 0.00 C ATOM 1735 O LEU A 102 23.780 12.689 2.564 1.00 0.00 O ATOM 1736 CB LEU A 102 26.400 11.393 1.409 1.00 0.00 C ATOM 1737 CG LEU A 102 26.117 10.626 0.091 1.00 0.00 C ATOM 1738 CD1 LEU A 102 27.240 9.606 −0.175 1.00 0.00 C ATOM 1739 CD2 LEU A 102 24.768 9.881 0.108 1.00 0.00 C ATOM 1740 H LEU A 102 26.149 12.992 3.649 1.00 0.00 H ATOM 1741 HA LEU A 102 26.297 13.392 0.656 1.00 0.00 H ATOM 1742 1HB LEU A 102 27.480 11.402 1.565 1.00 0.00 H ATOM 1743 2HB LEU A 102 26.013 10.818 2.252 1.00 0.00 H ATOM 1744 HG LEU A 102 26.116 11.336 −0.738 1.00 0.00 H ATOM 1745 1HD1 LEU A 102 27.067 9.042 −1.090 1.00 0.00 H ATOM 1746 2HD1 LEU A 102 28.212 10.091 −0.274 1.00 0.00 H ATOM 1747 3HD1 LEU A 102 27.321 8.882 0.637 1.00 0.00 H ATOM 1748 1HD2 LEU A 102 24.616 9.337 −0.824 1.00 0.00 H ATOM 1749 2HD2 LEU A 102 24.724 9.154 0.920 1.00 0.00 H ATOM 1750 3HD2 LEU A 102 23.916 10.546 0.221 1.00 0.00 H ATOM 1751 N LYS A 103 23.845 13.255 0.379 1.00 0.00 N ATOM 1752 CA LYS A 103 22.397 13.326 0.231 1.00 0.00 C ATOM 1753 C LYS A 103 21.974 12.636 −1.054 1.00 0.00 C ATOM 1754 O LYS A 103 22.411 13.002 −2.147 1.00 0.00 O ATOM 1755 CB LYS A 103 21.926 14.782 0.214 1.00 0.00 C ATOM 1756 CG LYS A 103 22.214 15.468 1.563 1.00 0.00 C ATOM 1757 CD LYS A 103 21.270 16.619 1.894 1.00 0.00 C ATOM 1758 CE LYS A 103 21.633 17.282 3.231 1.00 0.00 C ATOM 1759 NZ LYS A 103 20.596 18.227 3.650 1.00 0.00 N ATOM 1760 H LYS A 103 24.412 13.563 −0.412 1.00 0.00 H ATOM 1761 HA LYS A 103 21.901 12.812 1.049 1.00 0.00 H ATOM 1762 1HB LYS A 103 22.393 15.339 −0.601 1.00 0.00 H ATOM 1763 2HB LYS A 103 20.855 14.800 0.015 1.00 0.00 H ATOM 1764 1HG LYS A 103 22.133 14.741 2.372 1.00 0.00 H ATOM 1765 2HG LYS A 103 23.247 15.817 1.566 1.00 0.00 H ATOM 1766 1HD LYS A 103 21.299 17.352 1.087 1.00 0.00 H ATOM 1767 2HD LYS A 103 20.248 16.242 1.934 1.00 0.00 H ATOM 1768 1HE LYS A 103 21.770 16.541 4.017 1.00 0.00 H ATOM 1769 2HE LYS A 103 22.577 17.821 3.130 1.00 0.00 H ATOM 1770 1HZ LYS A 103 20.892 18.815 4.408 1.00 0.00 H ATOM 1771 2HZ LYS A 103 20.432 18.854 2.831 1.00 0.00 H ATOM 1772 3HZ LYS A 103 19.706 17.779 3.839 1.00 0.00 H ATOM 1773 N LEU A 104 21.130 11.623 −0.909 1.00 0.00 N ATOM 1774 CA LEU A 104 20.608 10.871 −2.042 1.00 0.00 C ATOM 1775 C LEU A 104 19.635 11.758 −2.823 1.00 0.00 C ATOM 1776 O LEU A 104 18.832 12.480 −2.228 1.00 0.00 O ATOM 1777 CB LEU A 104 19.886 9.616 −1.530 1.00 0.00 C ATOM 1778 CG LEU A 104 19.251 8.673 −2.579 1.00 0.00 C ATOM 1779 CD1 LEU A 104 20.294 8.080 −3.534 1.00 0.00 C ATOM 1780 CD2 LEU A 104 18.466 7.541 −1.895 1.00 0.00 C ATOM 1781 H LEU A 104 20.762 11.400 0.011 1.00 0.00 H ATOM 1782 HA LEU A 104 21.438 10.578 −2.689 1.00 0.00 H ATOM 1783 1HB LEU A 104 20.589 9.040 −0.929 1.00 0.00 H ATOM 1784 2HB LEU A 104 19.101 9.933 −0.842 1.00 0.00 H ATOM 1785 HG LEU A 104 18.533 9.235 −3.178 1.00 0.00 H ATOM 1786 1HD1 LEU A 104 19.814 7.422 −4.255 1.00 0.00 H ATOM 1787 2HD1 LEU A 104 20.797 8.850 −4.114 1.00 0.00 H ATOM 1788 3HD1 LEU A 104 21.047 7.499 −3.003 1.00 0.00 H ATOM 1789 1HD2 LEU A 104 17.942 6.930 −2.631 1.00 0.00 H ATOM 1790 2HD2 LEU A 104 19.123 6.876 −1.333 1.00 0.00 H ATOM 1791 3HD2 LEU A 104 17.719 7.930 −1.203 1.00 0.00 H ATOM 1792 N CYS A 105 19.715 11.720 −4.147 1.00 0.00 N ATOM 1793 CA CYS A 105 18.831 12.528 −4.973 1.00 0.00 C ATOM 1794 C CYS A 105 18.285 11.753 −6.164 1.00 0.00 C ATOM 1795 O CYS A 105 18.566 10.566 −6.332 1.00 0.00 O ATOM 1796 CB CYS A 105 19.553 13.786 −5.472 1.00 0.00 C ATOM 1797 SG CYS A 105 18.437 15.198 −5.756 1.00 0.00 S ATOM 1798 H CYS A 105 20.392 11.132 −4.628 1.00 0.00 H ATOM 1799 HA CYS A 105 17.950 12.842 −4.411 1.00 0.00 H ATOM 1800 1HB CYS A 105 20.271 14.115 −4.721 1.00 0.00 H ATOM 1801 2HB CYS A 105 20.127 13.584 −6.379 1.00 0.00 H ATOM 1802 HG CYS A 105 19.393 16.041 −6.161 1.00 0.00 H ATOM 1803 N ASP A 106 17.488 12.445 −6.971 1.00 0.00 N ATOM 1804 CA ASP A 106 16.865 11.892 −8.169 1.00 0.00 C ATOM 1805 C ASP A 106 15.924 10.736 −7.897 1.00 0.00 C ATOM 1806 O ASP A 106 16.297 9.565 −8.029 1.00 0.00 O ATOM 1807 CB ASP A 106 17.922 11.443 −9.175 1.00 0.00 C ATOM 1808 CG ASP A 106 18.745 12.603 −9.737 1.00 0.00 C ATOM 1809 OD1 ASP A 106 19.717 13.025 −9.076 1.00 0.00 O ATOM 1810 OD2 ASP A 106 18.358 13.109 −10.812 1.00 0.00 O ATOM 1811 H ASP A 106 17.288 13.407 −6.750 1.00 0.00 H ATOM 1812 HA ASP A 106 16.286 12.703 −8.616 1.00 0.00 H ATOM 1813 1HB ASP A 106 18.607 10.711 −8.760 1.00 0.00 H ATOM 1814 2HB ASP A 106 17.451 10.945 −10.024 1.00 0.00 H ATOM 1815 N PHE A 107 14.691 11.063 −7.536 1.00 0.00 N ATOM 1816 CA PHE A 107 13.708 10.027 −7.267 1.00 0.00 C ATOM 1817 C PHE A 107 12.814 9.787 −8.483 1.00 0.00 C ATOM 1818 O PHE A 107 11.692 9.290 −8.361 1.00 0.00 O ATOM 1819 CB PHE A 107 12.900 10.406 −6.027 1.00 0.00 C ATOM 1820 CG PHE A 107 13.663 10.119 −4.742 1.00 0.00 C ATOM 1821 CD1 PHE A 107 14.669 10.998 −4.283 1.00 0.00 C ATOM 1822 CD2 PHE A 107 13.408 8.928 −4.032 1.00 0.00 C ATOM 1823 CE1 PHE A 107 15.419 10.682 −3.133 1.00 0.00 C ATOM 1824 CE2 PHE A 107 14.162 8.607 −2.890 1.00 0.00 C ATOM 1825 CZ PHE A 107 15.167 9.484 −2.437 1.00 0.00 C ATOM 1826 H PHE A 107 14.399 12.030 −7.559 1.00 0.00 H ATOM 1827 HA PHE A 107 14.171 9.061 −7.053 1.00 0.00 H ATOM 1828 1HB PHE A 107 12.606 11.456 −6.055 1.00 0.00 H ATOM 1829 2HB PHE A 107 11.965 9.846 −5.974 1.00 0.00 H ATOM 1830 HD1 PHE A 107 14.888 11.907 −4.824 1.00 0.00 H ATOM 1831 HD2 PHE A 107 12.639 8.248 −4.364 1.00 0.00 H ATOM 1832 HE1 PHE A 107 16.195 11.352 −2.789 1.00 0.00 H ATOM 1833 HE2 PHE A 107 13.958 7.687 −2.365 1.00 0.00 H ATOM 1834 HZ PHE A 107 15.742 9.242 −1.555 1.00 0.00 H ATOM 1835 N GLY A 108 13.353 10.111 −9.655 1.00 0.00 N ATOM 1836 CA GLY A 108 12.622 9.942 −10.900 1.00 0.00 C ATOM 1837 C GLY A 108 12.367 8.504 −11.323 1.00 0.00 C ATOM 1838 O GLY A 108 11.568 8.261 −12.221 1.00 0.00 O ATOM 1839 H GLY A 108 14.296 10.500 −9.713 1.00 0.00 H ATOM 1840 1HA GLY A 108 11.669 10.471 −10.843 1.00 0.00 H ATOM 1841 2HA GLY A 108 13.193 10.433 −11.688 1.00 0.00 H ATOM 1842 N SER A 109 13.037 7.546 −10.698 1.00 0.00 N ATOM 1843 CA SER A 109 12.837 6.142 −11.046 1.00 0.00 C ATOM 1844 C SER A 109 12.257 5.397 −9.861 1.00 0.00 C ATOM 1845 O SER A 109 11.930 4.220 −9.966 1.00 0.00 O ATOM 1846 CB SER A 109 14.167 5.475 −11.421 1.00 0.00 C ATOM 1847 OG SER A 109 15.119 5.735 −10.399 1.00 0.00 O ATOM 1848 H SER A 109 13.737 7.796 −10.014 1.00 0.00 H ATOM 1849 HA SER A 109 12.140 5.988 −11.872 1.00 0.00 H ATOM 1850 1HB SER A 109 14.064 4.399 −11.575 1.00 0.00 H ATOM 1851 2HB SER A 109 14.540 5.891 −12.357 1.00 0.00 H ATOM 1852 HG SER A 109 14.928 5.239 −9.602 1.00 0.00 H ATOM 1853 N ALA A 110 12.141 6.094 −8.733 1.00 0.00 N ATOM 1854 CA ALA A 110 11.648 5.505 −7.496 1.00 0.00 C ATOM 1855 C ALA A 110 10.208 5.000 −7.570 1.00 0.00 C ATOM 1856 O ALA A 110 9.368 5.559 −8.269 1.00 0.00 O ATOM 1857 CB ALA A 110 11.804 6.508 −6.351 1.00 0.00 C ATOM 1858 H ALA A 110 12.283 7.093 −8.766 1.00 0.00 H ATOM 1859 HA ALA A 110 12.303 4.660 −7.311 1.00 0.00 H ATOM 1860 1HB ALA A 110 11.533 6.058 −5.395 1.00 0.00 H ATOM 1861 2HB ALA A 110 12.840 6.838 −6.269 1.00 0.00 H ATOM 1862 3HB ALA A 110 11.181 7.390 −6.501 1.00 0.00 H ATOM 1863 N LYS A 111 9.935 3.933 −6.833 1.00 0.00 N ATOM 1864 CA LYS A 111 8.606 3.337 −6.826 1.00 0.00 C ATOM 1865 C LYS A 111 8.391 2.415 −5.637 1.00 0.00 C ATOM 1866 O LYS A 111 9.299 1.693 −5.207 1.00 0.00 O ATOM 1867 CB LYS A 111 8.395 2.545 −8.122 1.00 0.00 C ATOM 1868 CG LYS A 111 6.938 2.059 −8.325 1.00 0.00 C ATOM 1869 CD LYS A 111 6.746 1.035 −9.452 1.00 0.00 C ATOM 1870 CE LYS A 111 5.374 0.331 −9.368 1.00 0.00 C ATOM 1871 NZ LYS A 111 5.328 −0.677 −8.296 1.00 0.00 N ATOM 1872 H LYS A 111 10.674 3.493 −6.288 1.00 0.00 H ATOM 1873 HA LYS A 111 7.866 4.138 −6.766 1.00 0.00 H ATOM 1874 1HB LYS A 111 8.670 3.138 −8.994 1.00 0.00 H ATOM 1875 2HB LYS A 111 9.071 1.687 −8.129 1.00 0.00 H ATOM 1876 1HG LYS A 111 6.572 1.587 −7.420 1.00 0.00 H ATOM 1877 2HG LYS A 111 6.287 2.918 −8.494 1.00 0.00 H ATOM 1878 1HD LYS A 111 6.837 1.547 −10.411 1.00 0.00 H ATOM 1879 2HD LYS A 111 7.544 0.290 −9.433 1.00 0.00 H ATOM 1880 1HE LYS A 111 4.570 1.053 −9.226 1.00 0.00 H ATOM 1881 2HE LYS A 111 5.170 −0.187 −10.306 1.00 0.00 H ATOM 1882 1HZ LYS A 111 4.399 −1.150 −8.295 1.00 0.00 H ATOM 1883 2HZ LYS A 111 6.002 −1.406 −8.529 1.00 0.00 H ATOM 1884 3HZ LYS A 111 5.502 −0.309 −7.368 1.00 0.00 H ATOM 1885 N GLN A 112 7.183 2.438 −5.096 1.00 0.00 N ATOM 1886 CA GLN A 112 6.886 1.558 −3.988 1.00 0.00 C ATOM 1887 C GLN A 112 6.695 0.168 −4.590 1.00 0.00 C ATOM 1888 O GLN A 112 5.870 −0.018 −5.491 1.00 0.00 O ATOM 1889 CB GLN A 112 5.611 2.005 −3.278 1.00 0.00 C ATOM 1890 CG GLN A 112 5.581 1.766 −1.751 1.00 0.00 C ATOM 1891 CD GLN A 112 4.911 2.911 −0.985 1.00 0.00 C ATOM 1892 OE1 GLN A 112 5.374 4.054 −1.009 1.00 0.00 O ATOM 1893 NE2 GLN A 112 3.824 2.624 −0.284 1.00 0.00 N ATOM 1894 H GLN A 112 6.444 2.986 −5.505 1.00 0.00 H ATOM 1895 HA GLN A 112 7.689 1.543 −3.264 1.00 0.00 H ATOM 1896 1HB GLN A 112 5.500 3.077 −3.451 1.00 0.00 H ATOM 1897 2HB GLN A 112 4.717 1.571 −3.730 1.00 0.00 H ATOM 1898 1HG GLN A 112 5.125 0.803 −1.519 1.00 0.00 H ATOM 1899 2HG GLN A 112 6.591 1.724 −1.354 1.00 0.00 H ATOM 1900 1HE2 GLN A 112 3.349 3.344 0.237 1.00 0.00 H ATOM 1901 2HE2 GLN A 112 3.468 1.682 −0.259 1.00 0.00 H ATOM 1902 N LEU A 113 7.470 −0.800 −4.113 1.00 0.00 N ATOM 1903 CA LEU A 113 7.376 −2.162 −4.621 1.00 0.00 C ATOM 1904 C LEU A 113 6.431 −2.974 −3.760 1.00 0.00 C ATOM 1905 O LEU A 113 6.610 −3.071 −2.546 1.00 0.00 O ATOM 1906 CB LEU A 113 8.751 −2.824 −4.639 1.00 0.00 C ATOM 1907 CG LEU A 113 9.841 −2.077 −5.444 1.00 0.00 C ATOM 1908 CD1 LEU A 113 11.142 −2.893 −5.444 1.00 0.00 C ATOM 1909 CD2 LEU A 113 9.429 −1.762 −6.889 1.00 0.00 C ATOM 1910 H LEU A 113 8.081 −0.610 −3.323 1.00 0.00 H ATOM 1911 HA LEU A 113 6.983 −2.178 −5.639 1.00 0.00 H ATOM 1912 1HB LEU A 113 9.106 −2.954 −3.614 1.00 0.00 H ATOM 1913 2HB LEU A 113 8.645 −3.833 −5.043 1.00 0.00 H ATOM 1914 HG LEU A 113 10.038 −1.127 −4.946 1.00 0.00 H ATOM 1915 1HD1 LEU A 113 11.931 −2.393 −6.005 1.00 0.00 H ATOM 1916 2HD1 LEU A 113 11.501 −3.047 −4.427 1.00 0.00 H ATOM 1917 3HD1 LEU A 113 10.996 −3.873 −5.901 1.00 0.00 H ATOM 1918 1HD2 LEU A 113 10.232 −1.259 −7.423 1.00 0.00 H ATOM 1919 2HD2 LEU A 113 9.199 −2.676 −7.433 1.00 0.00 H ATOM 1920 3HD2 LEU A 113 8.561 −1.104 −6.936 1.00 0.00 H ATOM 1921 N VAL A 114 5.424 −3.556 −4.401 1.00 0.00 N ATOM 1922 CA VAL A 114 4.430 −4.360 −3.704 1.00 0.00 C ATOM 1923 C VAL A 114 4.592 −5.822 −4.088 1.00 0.00 C ATOM 1924 O VAL A 114 4.523 −6.174 −5.266 1.00 0.00 O ATOM 1925 CB VAL A 114 3.003 −3.902 −4.060 1.00 0.00 C ATOM 1926 CG1 VAL A 114 1.909 −4.625 −3.246 1.00 0.00 C ATOM 1927 CG2 VAL A 114 2.825 −2.377 −3.903 1.00 0.00 C ATOM 1928 H VAL A 114 5.325 −3.461 −5.400 1.00 0.00 H ATOM 1929 HA VAL A 114 4.538 −4.271 −2.621 1.00 0.00 H ATOM 1930 HB VAL A 114 2.816 −4.122 −5.113 1.00 0.00 H ATOM 1931 1HG1 VAL A 114 0.917 −4.261 −3.515 1.00 0.00 H ATOM 1932 2HG1 VAL A 114 1.905 −5.701 −3.427 1.00 0.00 H ATOM 1933 3HG1 VAL A 114 2.039 −4.468 −2.175 1.00 0.00 H ATOM 1934 1HG2 VAL A 114 1.802 −2.075 −4.131 1.00 0.00 H ATOM 1935 2HG2 VAL A 114 3.052 −2.051 −2.887 1.00 0.00 H ATOM 1936 3HG2 VAL A 114 3.469 −1.818 −4.584 1.00 0.00 H ATOM 1937 N ARG A 115 4.821 −6.667 −3.091 1.00 0.00 N ATOM 1938 CA ARG A 115 4.993 −8.091 −3.329 1.00 0.00 C ATOM 1939 C ARG A 115 3.896 −8.592 −4.271 1.00 0.00 C ATOM 1940 O ARG A 115 2.715 −8.312 −4.066 1.00 0.00 O ATOM 1941 CB ARG A 115 4.941 −8.841 −1.996 1.00 0.00 C ATOM 1942 CG ARG A 115 6.096 −8.472 −1.047 1.00 0.00 C ATOM 1943 CD ARG A 115 6.089 −9.300 0.245 1.00 0.00 C ATOM 1944 NE ARG A 115 7.214 −8.930 1.116 1.00 0.00 N ATOM 1945 CZ ARG A 115 7.641 −9.603 2.192 1.00 0.00 C ATOM 1946 NH1 ARG A 115 7.042 −10.729 2.576 1.00 0.00 N ATOM 1947 NH2 ARG A 115 8.678 −9.139 2.883 1.00 0.00 N ATOM 1948 H ARG A 115 4.857 −6.319 −2.146 1.00 0.00 H ATOM 1949 HA ARG A 115 5.969 −8.234 −3.797 1.00 0.00 H ATOM 1950 1HB ARG A 115 3.984 −8.662 −1.502 1.00 0.00 H ATOM 1951 2HB ARG A 115 4.980 −9.914 −2.193 1.00 0.00 H ATOM 1952 1HG ARG A 115 7.045 −8.619 −1.563 1.00 0.00 H ATOM 1953 2HG ARG A 115 6.044 −7.413 −0.794 1.00 0.00 H ATOM 1954 1HD ARG A 115 5.156 −9.155 0.790 1.00 0.00 H ATOM 1955 2HD ARG A 115 6.161 −10.360 0.002 1.00 0.00 H ATOM 1956 HE ARG A 115 7.670 −8.059 0.871 1.00 0.00 H ATOM 1957 1HH1 ARG A 115 7.347 −11.255 3.382 1.00 0.00 H ATOM 1958 2HH1 ARG A 115 6.252 −11.101 2.073 1.00 0.00 H ATOM 1959 1HH2 ARG A 115 9.034 −9.613 3.700 1.00 0.00 H ATOM 1960 2HH2 ARG A 115 9.160 −8.291 2.623 1.00 0.00 H ATOM 1961 N GLY A 116 4.288 −9.302 −5.324 1.00 0.00 N ATOM 1962 CA GLY A 116 3.303 −9.817 −6.261 1.00 0.00 C ATOM 1963 C GLY A 116 2.967 −8.922 −7.442 1.00 0.00 C ATOM 1964 O GLY A 116 2.395 −9.393 −8.421 1.00 0.00 O ATOM 1965 H GLY A 116 5.268 −9.440 −5.517 1.00 0.00 H ATOM 1966 1HA GLY A 116 3.706 −10.746 −6.666 1.00 0.00 H ATOM 1967 2HA GLY A 116 2.374 −10.103 −5.764 1.00 0.00 H ATOM 1968 N GLU A 117 3.296 −7.635 −7.354 1.00 0.00 N ATOM 1969 CA GLU A 117 3.030 −6.700 −8.450 1.00 0.00 C ATOM 1970 C GLU A 117 4.276 −6.607 −9.331 1.00 0.00 C ATOM 1971 O GLU A 117 5.365 −6.317 −8.840 1.00 0.00 O ATOM 1972 CB GLU A 117 2.702 −5.315 −7.907 1.00 0.00 C ATOM 1973 CG GLU A 117 2.474 −4.180 −8.935 1.00 0.00 C ATOM 1974 CD GLU A 117 2.234 −2.842 −8.245 1.00 0.00 C ATOM 1975 OE1 GLU A 117 3.132 −1.974 −8.315 1.00 0.00 O ATOM 1976 OE2 GLU A 117 1.165 −2.692 −7.624 1.00 0.00 O ATOM 1977 H GLU A 117 3.780 −7.277 −6.532 1.00 0.00 H ATOM 1978 HA GLU A 117 2.157 −7.030 −9.009 1.00 0.00 H ATOM 1979 1HB GLU A 117 1.823 −5.387 −7.265 1.00 0.00 H ATOM 1980 2HB GLU A 117 3.513 −4.992 −7.254 1.00 0.00 H ATOM 1981 1HG GLU A 117 3.330 −4.062 −9.600 1.00 0.00 H ATOM 1982 2HG GLU A 117 1.614 −4.406 −9.565 1.00 0.00 H ATOM 1983 N PRO A 118 4.130 −6.840 −10.645 1.00 0.00 N ATOM 1984 CA PRO A 118 5.292 −6.771 −11.541 1.00 0.00 C ATOM 1985 C PRO A 118 5.830 −5.359 −11.760 1.00 0.00 C ATOM 1986 O PRO A 118 5.084 −4.381 −11.718 1.00 0.00 O ATOM 1987 CB PRO A 118 4.780 −7.395 −12.839 1.00 0.00 C ATOM 1988 CG PRO A 118 3.281 −7.148 −12.853 1.00 0.00 C ATOM 1989 CD PRO A 118 2.894 −7.133 −11.376 1.00 0.00 C ATOM 1990 HA PRO A 118 6.087 −7.398 −11.135 1.00 0.00 H ATOM 1991 1HB PRO A 118 5.273 −7.006 −13.732 1.00 0.00 H ATOM 1992 2HB PRO A 118 4.969 −8.469 −12.816 1.00 0.00 H ATOM 1993 1HG PRO A 118 2.729 −7.891 −13.430 1.00 0.00 H ATOM 1994 2HG PRO A 118 3.079 −6.169 −13.292 1.00 0.00 H ATOM 1995 1HD PRO A 118 2.517 −8.110 −11.071 1.00 0.00 H ATOM 1996 2HD PRO A 118 2.119 −6.387 −11.189 1.00 0.00 H ATOM 1997 N ASN A 119 7.133 −5.268 −12.001 1.00 0.00 N ATOM 1998 CA ASN A 119 7.777 −3.987 −12.246 1.00 0.00 C ATOM 1999 C ASN A 119 8.767 −4.100 −13.411 1.00 0.00 C ATOM 2000 O ASN A 119 9.305 −5.178 −13.662 1.00 0.00 O ATOM 2001 CB ASN A 119 8.471 −3.526 −10.971 1.00 0.00 C ATOM 2002 CG ASN A 119 7.649 −3.443 −9.686 1.00 0.00 C ATOM 2003 OD1 ASN A 119 7.014 −2.431 −9.401 1.00 0.00 O ATOM 2004 ND2 ASN A 119 7.692 −4.487 −8.869 1.00 0.00 N ATOM 2005 H ASN A 119 7.720 −6.097 −11.961 1.00 0.00 H ATOM 2006 HA ASN A 119 7.050 −3.230 −12.550 1.00 0.00 H ATOM 2007 1HB ASN A 119 9.326 −4.176 −10.776 1.00 0.00 H ATOM 2008 2HB ASN A 119 8.901 −2.538 −11.138 1.00 0.00 H ATOM 2009 1HD2 ASN A 119 7.071 −4.539 −8.078 1.00 0.00 H ATOM 2010 2HD2 ASN A 119 8.205 −5.315 −9.133 1.00 0.00 H ATOM 2011 N VAL A 120 8.995 −2.996 −14.121 1.00 0.00 N ATOM 2012 CA VAL A 120 9.900 −3.010 −15.270 1.00 0.00 C ATOM 2013 C VAL A 120 11.346 −3.303 −14.916 1.00 0.00 C ATOM 2014 O VAL A 120 11.876 −2.811 −13.918 1.00 0.00 O ATOM 2015 CB VAL A 120 9.852 −1.693 −16.053 1.00 0.00 C ATOM 2016 CG1 VAL A 120 8.483 −1.528 −16.740 1.00 0.00 C ATOM 2017 CG2 VAL A 120 10.164 −0.430 −15.219 1.00 0.00 C ATOM 2018 H VAL A 120 8.529 −2.134 −13.893 1.00 0.00 H ATOM 2019 HA VAL A 120 9.553 −3.805 −15.935 1.00 0.00 H ATOM 2020 HB VAL A 120 10.596 −1.740 −16.849 1.00 0.00 H ATOM 2021 1HG1 VAL A 120 8.443 −0.609 −17.323 1.00 0.00 H ATOM 2022 2HG1 VAL A 120 8.280 −2.355 −17.421 1.00 0.00 H ATOM 2023 3HG1 VAL A 120 7.668 −1.488 −16.017 1.00 0.00 H ATOM 2024 1HG2 VAL A 120 10.139 0.461 −15.849 1.00 0.00 H ATOM 2025 2HG2 VAL A 120 9.442 −0.281 −14.418 1.00 0.00 H ATOM 2026 3HG2 VAL A 120 11.158 −0.465 −14.773 1.00 0.00 H ATOM 2027 N SER A 121 11.990 −4.103 −15.757 1.00 0.00 N ATOM 2028 CA SER A 121 13.365 −4.485 −15.514 1.00 0.00 C ATOM 2029 C SER A 121 14.373 −3.582 −16.219 1.00 0.00 C ATOM 2030 O SER A 121 15.573 −3.825 −16.131 1.00 0.00 O ATOM 2031 CB SER A 121 13.577 −5.940 −15.939 1.00 0.00 C ATOM 2032 OG SER A 121 13.357 −6.117 −17.333 1.00 0.00 O ATOM 2033 H SER A 121 11.535 −4.518 −16.557 1.00 0.00 H ATOM 2034 HA SER A 121 13.596 −4.449 −14.447 1.00 0.00 H ATOM 2035 1HB SER A 121 14.547 −6.336 −15.633 1.00 0.00 H ATOM 2036 2HB SER A 121 12.801 −6.532 −15.482 1.00 0.00 H ATOM 2037 HG SER A 121 13.161 −7.033 −17.484 1.00 0.00 H ATOM 2038 N TYR A 122 13.903 −2.539 −16.899 1.00 0.00 N ATOM 2039 CA TYR A 122 14.836 −1.659 −17.590 1.00 0.00 C ATOM 2040 C TYR A 122 15.225 −0.394 −16.843 1.00 0.00 C ATOM 2041 O TYR A 122 15.728 0.555 −17.450 1.00 0.00 O ATOM 2042 CB TYR A 122 14.325 −1.284 −18.987 1.00 0.00 C ATOM 2043 CG TYR A 122 12.921 −0.697 −19.081 1.00 0.00 C ATOM 2044 CD1 TYR A 122 12.695 0.676 −18.842 1.00 0.00 C ATOM 2045 CD2 TYR A 122 11.838 −1.523 −19.453 1.00 0.00 C ATOM 2046 CE1 TYR A 122 11.402 1.216 −18.970 1.00 0.00 C ATOM 2047 CE2 TYR A 122 10.546 −0.980 −19.594 1.00 0.00 C ATOM 2048 CZ TYR A 122 10.328 0.391 −19.353 1.00 0.00 C ATOM 2049 OH TYR A 122 9.083 0.926 −19.493 1.00 0.00 O ATOM 2050 H TYR A 122 12.912 −2.365 −16.960 1.00 0.00 H ATOM 2051 HA TYR A 122 15.790 −2.154 −17.783 1.00 0.00 H ATOM 2052 1HB TYR A 122 15.016 −0.612 −19.499 1.00 0.00 H ATOM 2053 2HB TYR A 122 14.345 −2.187 −19.599 1.00 0.00 H ATOM 2054 HD1 TYR A 122 13.513 1.328 −18.569 1.00 0.00 H ATOM 2055 HD2 TYR A 122 11.994 −2.575 −19.647 1.00 0.00 H ATOM 2056 HE1 TYR A 122 11.238 2.268 −18.787 1.00 0.00 H ATOM 2057 HE2 TYR A 122 9.730 −1.624 −19.886 1.00 0.00 H ATOM 2058 HH TYR A 122 8.435 0.290 −19.774 1.00 0.00 H ATOM 2059 N ILE A 123 14.990 −0.360 −15.534 1.00 0.00 N ATOM 2060 CA ILE A 123 15.405 0.802 −14.766 1.00 0.00 C ATOM 2061 C ILE A 123 16.845 0.517 −14.327 1.00 0.00 C ATOM 2062 O ILE A 123 17.373 −0.573 −14.585 1.00 0.00 O ATOM 2063 CB ILE A 123 14.505 1.052 −13.502 1.00 0.00 C ATOM 2064 CG1 ILE A 123 13.964 −0.227 −12.816 1.00 0.00 C ATOM 2065 CG2 ILE A 123 13.316 1.950 −13.886 1.00 0.00 C ATOM 2066 CD1 ILE A 123 15.013 −1.121 −12.136 1.00 0.00 C ATOM 2067 H ILE A 123 14.637 −1.169 −15.050 1.00 0.00 H ATOM 2068 HA ILE A 123 15.428 1.717 −15.363 1.00 0.00 H ATOM 2069 HB ILE A 123 15.062 1.615 −12.751 1.00 0.00 H ATOM 2070 1HG1 ILE A 123 13.253 0.084 −12.056 1.00 0.00 H ATOM 2071 2HG1 ILE A 123 13.379 −0.817 −13.517 1.00 0.00 H ATOM 2072 1HG2 ILE A 123 12.688 2.171 −13.022 1.00 0.00 H ATOM 2073 2HG2 ILE A 123 13.654 2.904 −14.290 1.00 0.00 H ATOM 2074 3HG2 ILE A 123 12.689 1.476 −14.642 1.00 0.00 H ATOM 2075 1HD1 ILE A 123 14.533 −1.890 −11.529 1.00 0.00 H ATOM 2076 2HD1 ILE A 123 15.635 −1.640 −12.864 1.00 0.00 H ATOM 2077 3HD1 ILE A 123 15.669 −0.548 −11.480 1.00 0.00 H ATOM 2078 N CYS A 124 17.473 1.497 −13.684 1.00 0.00 N ATOM 2079 CA CYS A 124 18.845 1.387 −13.183 1.00 0.00 C ATOM 2080 C CYS A 124 19.926 1.483 −14.259 1.00 0.00 C ATOM 2081 O CYS A 124 19.852 0.842 −15.310 1.00 0.00 O ATOM 2082 CB CYS A 124 19.031 0.101 −12.385 1.00 0.00 C ATOM 2083 SG CYS A 124 20.413 0.270 −11.211 1.00 0.00 S ATOM 2084 H CYS A 124 16.978 2.349 −13.468 1.00 0.00 H ATOM 2085 HA CYS A 124 18.963 2.237 −12.510 1.00 0.00 H ATOM 2086 1HB CYS A 124 18.142 −0.113 −11.792 1.00 0.00 H ATOM 2087 2HB CYS A 124 19.222 −0.773 −13.007 1.00 0.00 H ATOM 2088 HG CYS A 124 20.064 −0.735 −10.400 1.00 0.00 H ATOM 2089 N SER A 125 20.945 2.287 −13.977 1.00 0.00 N ATOM 2090 CA SER A 125 22.031 2.502 −14.928 1.00 0.00 C ATOM 2091 C SER A 125 23.022 1.363 −15.039 1.00 0.00 C ATOM 2092 O SER A 125 23.304 0.662 −14.068 1.00 0.00 O ATOM 2093 CB SER A 125 22.772 3.788 −14.579 1.00 0.00 C ATOM 2094 OG SER A 125 23.257 3.717 −13.255 1.00 0.00 O ATOM 2095 H SER A 125 20.955 2.782 −13.095 1.00 0.00 H ATOM 2096 HA SER A 125 21.580 2.652 −15.912 1.00 0.00 H ATOM 2097 1HB SER A 125 23.609 3.957 −15.260 1.00 0.00 H ATOM 2098 2HB SER A 125 22.108 4.646 −14.673 1.00 0.00 H ATOM 2099 HG SER A 125 23.626 2.857 −13.105 1.00 0.00 H ATOM 2100 N ARG A 126 23.552 1.201 −16.246 1.00 0.00 N ATOM 2101 CA ARG A 126 24.539 0.171 −16.539 1.00 0.00 C ATOM 2102 C ARG A 126 25.742 0.314 −15.608 1.00 0.00 C ATOM 2103 O ARG A 126 26.188 1.426 −15.308 1.00 0.00 O ATOM 2104 CB ARG A 126 24.990 0.289 −18.000 1.00 0.00 C ATOM 2105 CG ARG A 126 25.891 −0.840 −18.559 1.00 0.00 C ATOM 2106 CD ARG A 126 25.284 −2.253 −18.504 1.00 0.00 C ATOM 2107 NE ARG A 126 24.013 −2.336 −19.242 1.00 0.00 N ATOM 2108 CZ ARG A 126 23.154 −3.364 −19.257 1.00 0.00 C ATOM 2109 NH1 ARG A 126 23.341 −4.449 −18.503 1.00 0.00 N ATOM 2110 NH2 ARG A 126 22.080 −3.295 −20.038 1.00 0.00 N ATOM 2111 H ARG A 126 23.289 1.831 −16.986 1.00 0.00 H ATOM 2112 HA ARG A 126 24.072 −0.803 −16.386 1.00 0.00 H ATOM 2113 1HB ARG A 126 24.105 0.356 −18.633 1.00 0.00 H ATOM 2114 2HB ARG A 126 25.511 1.238 −18.137 1.00 0.00 H ATOM 2115 1HG ARG A 126 26.148 −0.609 −19.593 1.00 0.00 H ATOM 2116 2HG ARG A 126 26.845 −0.848 −18.036 1.00 0.00 H ATOM 2117 1HD ARG A 126 25.983 −2.978 −18.926 1.00 0.00 H ATOM 2118 2HD ARG A 126 25.121 −2.539 −17.469 1.00 0.00 H ATOM 2119 HE ARG A 126 23.854 −1.565 −19.877 1.00 0.00 H ATOM 2120 1HH1 ARG A 126 22.735 −5.248 −18.560 1.00 0.00 H ATOM 2121 2HH1 ARG A 126 24.085 −4.501 −17.793 1.00 0.00 H ATOM 2122 1HH2 ARG A 126 21.383 −4.020 −20.075 1.00 0.00 H ATOM 2123 2HH2 ARG A 126 21.903 −2.492 −20.622 1.00 0.00 H ATOM 2124 N TYR A 127 26.264 −0.828 −15.183 1.00 0.00 N ATOM 2125 CA TYR A 127 27.387 −0.943 −14.255 1.00 0.00 C ATOM 2126 C TYR A 127 26.830 −1.191 −12.862 1.00 0.00 C ATOM 2127 O TYR A 127 27.443 −1.915 −12.087 1.00 0.00 O ATOM 2128 CB TYR A 127 28.258 0.323 −14.190 1.00 0.00 C ATOM 2129 CG TYR A 127 29.059 0.757 −15.417 1.00 0.00 C ATOM 2130 CD1 TYR A 127 29.123 −0.026 −16.591 1.00 0.00 C ATOM 2131 CD2 TYR A 127 29.754 1.983 −15.369 1.00 0.00 C ATOM 2132 CE1 TYR A 127 29.855 0.423 −17.707 1.00 0.00 C ATOM 2133 CE2 TYR A 127 30.503 2.424 −16.477 1.00 0.00 C ATOM 2134 CZ TYR A 127 30.554 1.642 −17.646 1.00 0.00 C ATOM 2135 OH TYR A 127 31.280 2.055 −18.722 1.00 0.00 O ATOM 2136 H TYR A 127 25.854 −1.692 −15.503 1.00 0.00 H ATOM 2137 HA TYR A 127 27.989 −1.810 −14.529 1.00 0.00 H ATOM 2138 1HB TYR A 127 27.790 1.168 −13.694 1.00 0.00 H ATOM 2139 2HB TYR A 127 29.046 0.084 −13.473 1.00 0.00 H ATOM 2140 HD1 TYR A 127 28.618 −0.978 −16.649 1.00 0.00 H ATOM 2141 HD2 TYR A 127 29.717 2.592 −14.475 1.00 0.00 H ATOM 2142 HE1 TYR A 127 29.883 −0.170 −18.609 1.00 0.00 H ATOM 2143 HE2 TYR A 127 31.033 3.363 −16.416 1.00 0.00 H ATOM 2144 HH TYR A 127 31.707 2.891 −18.580 1.00 0.00 H ATOM 2145 N TYR A 128 25.662 −0.608 −12.561 1.00 0.00 N ATOM 2146 CA TYR A 128 25.046 −0.732 −11.227 1.00 0.00 C ATOM 2147 C TYR A 128 23.802 −1.618 −11.142 1.00 0.00 C ATOM 2148 O TYR A 128 23.233 −1.787 −10.063 1.00 0.00 O ATOM 2149 CB TYR A 128 24.720 0.672 −10.680 1.00 0.00 C ATOM 2150 CG TYR A 128 25.891 1.644 −10.800 1.00 0.00 C ATOM 2151 CD1 TYR A 128 26.886 1.705 −9.803 1.00 0.00 C ATOM 2152 CD2 TYR A 128 26.043 2.423 −11.966 1.00 0.00 C ATOM 2153 CE1 TYR A 128 28.067 2.443 −10.020 1.00 0.00 C ATOM 2154 CE2 TYR A 128 27.194 3.205 −12.161 1.00 0.00 C ATOM 2155 CZ TYR A 128 28.226 3.183 −11.209 1.00 0.00 C ATOM 2156 OH TYR A 128 29.364 3.887 −11.456 1.00 0.00 O ATOM 2157 H TYR A 128 25.220 0.012 −13.229 1.00 0.00 H ATOM 2158 HA TYR A 128 25.754 −1.171 −10.523 1.00 0.00 H ATOM 2159 1HB TYR A 128 23.861 1.094 −11.205 1.00 0.00 H ATOM 2160 2HB TYR A 128 24.420 0.615 −9.633 1.00 0.00 H ATOM 2161 HD1 TYR A 128 26.769 1.157 −8.884 1.00 0.00 H ATOM 2162 HD2 TYR A 128 25.315 2.374 −12.757 1.00 0.00 H ATOM 2163 HE1 TYR A 128 28.852 2.440 −9.275 1.00 0.00 H ATOM 2164 HE2 TYR A 128 27.310 3.773 −13.073 1.00 0.00 H ATOM 2165 HH TYR A 128 30.079 3.747 −10.799 1.00 0.00 H ATOM 2166 N ARG A 129 23.398 −2.192 −12.274 1.00 0.00 N ATOM 2167 CA ARG A 129 22.216 −3.061 −12.341 1.00 0.00 C ATOM 2168 C ARG A 129 22.404 −4.423 −11.673 1.00 0.00 C ATOM 2169 O ARG A 129 23.375 −5.133 −11.964 1.00 0.00 O ATOM 2170 CB ARG A 129 21.838 −3.301 −13.802 1.00 0.00 C ATOM 2171 CG ARG A 129 21.787 −2.094 −14.744 1.00 0.00 C ATOM 2172 CD ARG A 129 21.640 −2.488 −16.223 1.00 0.00 C ATOM 2173 NE ARG A 129 20.529 −3.432 −16.437 1.00 0.00 N ATOM 2174 CZ ARG A 129 19.234 −3.100 −16.427 1.00 0.00 C ATOM 2175 NH1 ARG A 129 18.892 −1.822 −16.310 1.00 0.00 N ATOM 2176 NH2 ARG A 129 18.296 −4.046 −16.509 1.00 0.00 N ATOM 2177 H ARG A 129 23.941 −2.026 −13.104 1.00 0.00 H ATOM 2178 HA ARG A 129 21.386 −2.553 −11.845 1.00 0.00 H ATOM 2179 1HB ARG A 129 22.542 −4.016 −14.233 1.00 0.00 H ATOM 2180 2HB ARG A 129 20.870 −3.805 −13.820 1.00 0.00 H ATOM 2181 1HG ARG A 129 21.014 −1.394 −14.432 1.00 0.00 H ATOM 2182 2HG ARG A 129 22.731 −1.570 −14.667 1.00 0.00 H ATOM 2183 1HD ARG A 129 21.525 −1.607 −16.855 1.00 0.00 H ATOM 2184 2HD ARG A 129 22.563 −2.969 −16.540 1.00 0.00 H ATOM 2185 HE ARG A 129 20.803 −4.403 −16.477 1.00 0.00 H ATOM 2186 1HH1 ARG A 129 18.017 −1.524 −15.868 1.00 0.00 H ATOM 2187 2HH1 ARG A 129 19.581 −1.079 −16.269 1.00 0.00 H ATOM 2188 1HH2 ARG A 129 17.293 −3.836 −16.421 1.00 0.00 H ATOM 2189 2HH2 ARG A 129 18.502 −5.026 −16.635 1.00 0.00 H ATOM 2190 N ALA A 130 21.469 −4.802 −10.799 1.00 0.00 N ATOM 2191 CA ALA A 130 21.544 −6.106 −10.134 1.00 0.00 C ATOM 2192 C ALA A 130 21.393 −7.176 −11.214 1.00 0.00 C ATOM 2193 O ALA A 130 20.741 −6.942 −12.235 1.00 0.00 O ATOM 2194 CB ALA A 130 20.434 −6.242 −9.092 1.00 0.00 C ATOM 2195 H ALA A 130 20.709 −4.182 −10.575 1.00 0.00 H ATOM 2196 HA ALA A 130 22.514 −6.205 −9.668 1.00 0.00 H ATOM 2197 1HB ALA A 130 20.554 −7.150 −8.502 1.00 0.00 H ATOM 2198 2HB ALA A 130 20.450 −5.406 −8.395 1.00 0.00 H ATOM 2199 3HB ALA A 130 19.444 −6.272 −9.548 1.00 0.00 H ATOM 2200 N PRO A 131 22.013 −8.352 −11.018 1.00 0.00 N ATOM 2201 CA PRO A 131 21.917 −9.427 −12.014 1.00 0.00 C ATOM 2202 C PRO A 131 20.494 −9.844 −12.370 1.00 0.00 C ATOM 2203 O PRO A 131 20.205 −10.135 −13.531 1.00 0.00 O ATOM 2204 CB PRO A 131 22.734 −10.571 −11.404 1.00 0.00 C ATOM 2205 CG PRO A 131 22.809 −10.318 −9.912 1.00 0.00 C ATOM 2206 CD PRO A 131 22.654 −8.809 −9.784 1.00 0.00 C ATOM 2207 HA PRO A 131 22.396 −9.096 −12.934 1.00 0.00 H ATOM 2208 1HB PRO A 131 22.355 −11.553 −11.673 1.00 0.00 H ATOM 2209 2HB PRO A 131 23.745 −10.523 −11.810 1.00 0.00 H ATOM 2210 1HG PRO A 131 23.724 −10.695 −9.454 1.00 0.00 H ATOM 2211 2HG PRO A 131 21.966 −10.802 −9.416 1.00 0.00 H ATOM 2212 1HD PRO A 131 23.637 −8.353 −9.753 1.00 0.00 H ATOM 2213 2HD PRO A 131 22.125 −8.552 −8.869 1.00 0.00 H ATOM 2214 N GLU A 132 19.595 −9.865 −11.389 1.00 0.00 N ATOM 2215 CA GLU A 132 18.226 −10.251 −11.677 1.00 0.00 C ATOM 2216 C GLU A 132 17.604 −9.299 −12.695 1.00 0.00 C ATOM 2217 O GLU A 132 16.727 −9.701 −13.466 1.00 0.00 O ATOM 2218 CB GLU A 132 17.381 −10.309 −10.392 1.00 0.00 C ATOM 2219 CG GLU A 132 17.348 −9.062 −9.468 1.00 0.00 C ATOM 2220 CD GLU A 132 18.467 −9.009 −8.433 1.00 0.00 C ATOM 2221 OE1 GLU A 132 19.551 −9.582 −8.671 1.00 0.00 O ATOM 2222 OE2 GLU A 132 18.281 −8.366 −7.381 1.00 0.00 O ATOM 2223 H GLU A 132 19.831 −9.686 −10.409 1.00 0.00 H ATOM 2224 HA GLU A 132 18.228 −11.240 −12.135 1.00 0.00 H ATOM 2225 1HB GLU A 132 16.354 −10.550 −10.667 1.00 0.00 H ATOM 2226 2HB GLU A 132 17.710 −11.162 −9.800 1.00 0.00 H ATOM 2227 1HG GLU A 132 17.342 −8.133 −10.036 1.00 0.00 H ATOM 2228 2HG GLU A 132 16.414 −9.075 −8.907 1.00 0.00 H ATOM 2229 N LEU A 133 18.064 −8.045 −12.707 1.00 0.00 N ATOM 2230 CA LEU A 133 17.564 −7.051 −13.658 1.00 0.00 C ATOM 2231 C LEU A 133 18.122 −7.371 −15.053 1.00 0.00 C ATOM 2232 O LEU A 133 17.405 −7.297 −16.054 1.00 0.00 O ATOM 2233 CB LEU A 133 17.999 −5.632 −13.254 1.00 0.00 C ATOM 2234 CG LEU A 133 17.449 −5.119 −11.908 1.00 0.00 C ATOM 2235 CD1 LEU A 133 18.024 −3.727 −11.602 1.00 0.00 C ATOM 2236 CD2 LEU A 133 15.912 −5.069 −11.888 1.00 0.00 C ATOM 2237 H LEU A 133 18.837 −7.799 −12.103 1.00 0.00 H ATOM 2238 HA LEU A 133 16.476 −7.107 −13.720 1.00 0.00 H ATOM 2239 1HB LEU A 133 19.082 −5.538 −13.273 1.00 0.00 H ATOM 2240 2HB LEU A 133 17.652 −4.943 −14.025 1.00 0.00 H ATOM 2241 HG LEU A 133 17.776 −5.794 −11.117 1.00 0.00 H ATOM 2242 1HD1 LEU A 133 17.726 −3.390 −10.611 1.00 0.00 H ATOM 2243 2HD1 LEU A 133 19.112 −3.730 −11.632 1.00 0.00 H ATOM 2244 3HD1 LEU A 133 17.681 −2.985 −12.324 1.00 0.00 H ATOM 2245 1HD2 LEU A 133 15.541 −4.637 −10.960 1.00 0.00 H ATOM 2246 2HD2 LEU A 133 15.518 −4.465 −12.707 1.00 0.00 H ATOM 2247 3HD2 LEU A 133 15.472 −6.064 −11.964 1.00 0.00 H ATOM 2248 N ILE A 134 19.403 −7.720 −15.116 1.00 0.00 N ATOM 2249 CA ILE A 134 20.013 −8.058 −16.394 1.00 0.00 C ATOM 2250 C ILE A 134 19.288 −9.291 −16.948 1.00 0.00 C ATOM 2251 O ILE A 134 19.051 −9.396 −18.151 1.00 0.00 O ATOM 2252 CB ILE A 134 21.519 −8.346 −16.237 1.00 0.00 C ATOM 2253 CG1 ILE A 134 22.284 −7.309 −15.379 1.00 0.00 C ATOM 2254 CG2 ILE A 134 22.176 −8.425 −17.636 1.00 0.00 C ATOM 2255 CD1 ILE A 134 23.710 −7.756 −15.023 1.00 0.00 C ATOM 2256 H ILE A 134 19.937 −7.811 −14.261 1.00 0.00 H ATOM 2257 HA ILE A 134 19.868 −7.233 −17.092 1.00 0.00 H ATOM 2258 HB ILE A 134 21.637 −9.317 −15.750 1.00 0.00 H ATOM 2259 1HG1 ILE A 134 22.311 −6.336 −15.869 1.00 0.00 H ATOM 2260 2HG1 ILE A 134 21.772 −7.149 −14.437 1.00 0.00 H ATOM 2261 1HG2 ILE A 134 23.252 −8.564 −17.585 1.00 0.00 H ATOM 2262 2HG2 ILE A 134 21.786 −9.257 −18.223 1.00 0.00 H ATOM 2263 3HG2 ILE A 134 22.001 −7.514 −18.206 1.00 0.00 H ATOM 2264 1HD1 ILE A 134 24.099 −7.167 −14.194 1.00 0.00 H ATOM 2265 2HD1 ILE A 134 23.743 −8.799 −14.713 1.00 0.00 H ATOM 2266 3HD1 ILE A 134 24.396 −7.646 −15.862 1.00 0.00 H ATOM 2267 N PHE A 135 18.925 −10.209 −16.059 1.00 0.00 N ATOM 2268 CA PHE A 135 18.211 −11.423 −16.445 1.00 0.00 C ATOM 2269 C PHE A 135 16.736 −11.149 −16.726 1.00 0.00 C ATOM 2270 O PHE A 135 15.972 −12.080 −16.945 1.00 0.00 O ATOM 2271 CB PHE A 135 18.314 −12.482 −15.343 1.00 0.00 C ATOM 2272 CG PHE A 135 19.664 −13.185 −15.271 1.00 0.00 C ATOM 2273 CD1 PHE A 135 20.163 −13.870 −16.401 1.00 0.00 C ATOM 2274 CD2 PHE A 135 20.425 −13.174 −14.082 1.00 0.00 C ATOM 2275 CE1 PHE A 135 21.415 −14.514 −16.352 1.00 0.00 C ATOM 2276 CE2 PHE A 135 21.684 −13.803 −14.038 1.00 0.00 C ATOM 2277 CZ PHE A 135 22.178 −14.477 −15.170 1.00 0.00 C ATOM 2278 H PHE A 135 19.233 −10.110 −15.094 1.00 0.00 H ATOM 2279 HA PHE A 135 18.627 −11.812 −17.374 1.00 0.00 H ATOM 2280 1HB PHE A 135 18.063 −12.047 −14.376 1.00 0.00 H ATOM 2281 2HB PHE A 135 17.591 −13.283 −15.499 1.00 0.00 H ATOM 2282 HD1 PHE A 135 19.592 −13.902 −17.316 1.00 0.00 H ATOM 2283 HD2 PHE A 135 20.060 −12.671 −13.199 1.00 0.00 H ATOM 2284 HE1 PHE A 135 21.793 −15.031 −17.223 1.00 0.00 H ATOM 2285 HE2 PHE A 135 22.274 −13.761 −13.135 1.00 0.00 H ATOM 2286 HZ PHE A 135 23.145 −14.960 −15.135 1.00 0.00 H ATOM 2287 N GLY A 136 16.328 −9.884 −16.690 1.00 0.00 N ATOM 2288 CA GLY A 136 14.946 −9.530 −16.976 1.00 0.00 C ATOM 2289 C GLY A 136 13.847 −9.801 −15.950 1.00 0.00 C ATOM 2290 O GLY A 136 12.667 −9.835 −16.310 1.00 0.00 O ATOM 2291 H GLY A 136 16.987 −9.140 −16.494 1.00 0.00 H ATOM 2292 1HA GLY A 136 14.937 −8.460 −17.179 1.00 0.00 H ATOM 2293 2HA GLY A 136 14.632 −10.001 −17.906 1.00 0.00 H ATOM 2294 N ALA A 137 14.200 −9.984 −14.681 1.00 0.00 N ATOM 2295 CA ALA A 137 13.182 −10.235 −13.662 1.00 0.00 C ATOM 2296 C ALA A 137 12.242 −9.041 −13.502 1.00 0.00 C ATOM 2297 O ALA A 137 12.640 −7.893 −13.698 1.00 0.00 O ATOM 2298 CB ALA A 137 13.841 −10.557 −12.332 1.00 0.00 C ATOM 2299 H ALA A 137 15.175 −9.904 −14.402 1.00 0.00 H ATOM 2300 HA ALA A 137 12.595 −11.092 −13.987 1.00 0.00 H ATOM 2301 1HB ALA A 137 13.179 −11.133 −11.686 1.00 0.00 H ATOM 2302 2HB ALA A 137 14.763 −11.112 −12.442 1.00 0.00 H ATOM 2303 3HB ALA A 137 14.111 −9.649 −11.790 1.00 0.00 H ATOM 2304 N THR A 138 10.987 −9.320 −13.158 1.00 0.00 N ATOM 2305 CA THR A 138 9.990 −8.267 −12.952 1.00 0.00 C ATOM 2306 C THR A 138 9.436 −8.384 −11.530 1.00 0.00 C ATOM 2307 O THR A 138 8.595 −7.592 −11.106 1.00 0.00 O ATOM 2308 CB THR A 138 8.821 −8.389 −13.950 1.00 0.00 C ATOM 2309 OG1 THR A 138 8.236 −9.683 −13.923 1.00 0.00 O ATOM 2310 CG2 THR A 138 9.267 −8.112 −15.394 1.00 0.00 C ATOM 2311 H THR A 138 10.654 −10.271 −13.117 1.00 0.00 H ATOM 2312 HA THR A 138 10.426 −7.271 −13.019 1.00 0.00 H ATOM 2313 HB THR A 138 8.048 −7.661 −13.695 1.00 0.00 H ATOM 2314 HG1 THR A 138 7.510 −9.695 −14.534 1.00 0.00 H ATOM 2315 1HG2 THR A 138 8.422 −8.125 −16.083 1.00 0.00 H ATOM 2316 2HG2 THR A 138 9.739 −7.132 −15.473 1.00 0.00 H ATOM 2317 3HG2 THR A 138 9.993 −8.850 −15.740 1.00 0.00 H ATOM 2318 N ASP A 139 9.921 −9.385 −10.806 1.00 0.00 N ATOM 2319 CA ASP A 139 9.501 −9.638 −9.434 1.00 0.00 C ATOM 2320 C ASP A 139 10.620 −9.297 −8.443 1.00 0.00 C ATOM 2321 O ASP A 139 10.674 −9.839 −7.335 1.00 0.00 O ATOM 2322 CB ASP A 139 9.114 −11.111 −9.273 1.00 0.00 C ATOM 2323 CG ASP A 139 10.200 −12.167 −9.523 1.00 0.00 C ATOM 2324 OD1 ASP A 139 11.089 −11.912 −10.363 1.00 0.00 O ATOM 2325 OD2 ASP A 139 10.094 −13.253 −8.917 1.00 0.00 O ATOM 2326 H ASP A 139 10.653 −9.996 −11.154 1.00 0.00 H ATOM 2327 HA ASP A 139 8.635 −9.037 −9.153 1.00 0.00 H ATOM 2328 1HB ASP A 139 8.713 −11.275 −8.272 1.00 0.00 H ATOM 2329 2HB ASP A 139 8.291 −11.336 −9.951 1.00 0.00 H ATOM 2330 N TYR A 140 11.517 −8.404 −8.847 1.00 0.00 N ATOM 2331 CA TYR A 140 12.622 −8.013 −7.979 1.00 0.00 C ATOM 2332 C TYR A 140 12.144 −7.198 −6.772 1.00 0.00 C ATOM 2333 O TYR A 140 11.022 −6.696 −6.742 1.00 0.00 O ATOM 2334 CB TYR A 140 13.661 −7.219 −8.780 1.00 0.00 C ATOM 2335 CG TYR A 140 13.155 −5.943 −9.444 1.00 0.00 C ATOM 2336 CD1 TYR A 140 13.140 −4.717 −8.741 1.00 0.00 C ATOM 2337 CD2 TYR A 140 12.685 −5.983 −10.772 1.00 0.00 C ATOM 2338 CE1 TYR A 140 12.649 −3.549 −9.356 1.00 0.00 C ATOM 2339 CE2 TYR A 140 12.206 −4.815 −11.391 1.00 0.00 C ATOM 2340 CZ TYR A 140 12.191 −3.594 −10.686 1.00 0.00 C ATOM 2341 OH TYR A 140 11.752 −2.458 −11.302 1.00 0.00 O ATOM 2342 H TYR A 140 11.388 −7.936 −9.728 1.00 0.00 H ATOM 2343 HA TYR A 140 13.106 −8.918 −7.604 1.00 0.00 H ATOM 2344 1HB TYR A 140 14.504 −6.965 −8.138 1.00 0.00 H ATOM 2345 2HB TYR A 140 14.086 −7.864 −9.551 1.00 0.00 H ATOM 2346 HD1 TYR A 140 13.501 −4.668 −7.723 1.00 0.00 H ATOM 2347 HD2 TYR A 140 12.699 −6.908 −11.328 1.00 0.00 H ATOM 2348 HE1 TYR A 140 12.644 −2.621 −8.805 1.00 0.00 H ATOM 2349 HE2 TYR A 140 11.852 −4.879 −12.409 1.00 0.00 H ATOM 2350 HH TYR A 140 11.816 −2.592 −12.257 1.00 0.00 H ATOM 2351 N THR A 141 13.017 −7.068 −5.781 1.00 0.00 N ATOM 2352 CA THR A 141 12.702 −6.336 −4.558 1.00 0.00 C ATOM 2353 C THR A 141 13.648 −5.148 −4.359 1.00 0.00 C ATOM 2354 O THR A 141 14.468 −4.834 −5.225 1.00 0.00 O ATOM 2355 CB THR A 141 12.847 −7.243 −3.344 1.00 0.00 C ATOM 2356 OG1 THR A 141 14.186 −7.687 −3.146 1.00 0.00 O ATOM 2357 CG2 THR A 141 11.948 −8.489 −3.427 1.00 0.00 C ATOM 2358 H THR A 141 13.951 −7.448 −5.836 1.00 0.00 H ATOM 2359 HA THR A 141 11.687 −5.934 −4.568 1.00 0.00 H ATOM 2360 HB THR A 141 12.538 −6.716 −2.440 1.00 0.00 H ATOM 2361 HG1 THR A 141 14.169 −8.389 −2.508 1.00 0.00 H ATOM 2362 1HG2 THR A 141 11.984 −9.068 −2.504 1.00 0.00 H ATOM 2363 2HG2 THR A 141 10.908 −8.206 −3.594 1.00 0.00 H ATOM 2364 3HG2 THR A 141 12.240 −9.151 −4.243 1.00 0.00 H ATOM 2365 N SER A 142 13.536 −4.508 −3.200 1.00 0.00 N ATOM 2366 CA SER A 142 14.365 −3.353 −2.867 1.00 0.00 C ATOM 2367 C SER A 142 15.839 −3.722 −2.768 1.00 0.00 C ATOM 2368 O SER A 142 16.705 −2.839 −2.746 1.00 0.00 O ATOM 2369 CB SER A 142 13.894 −2.741 −1.544 1.00 0.00 C ATOM 2370 OG SER A 142 12.493 −2.497 −1.523 1.00 0.00 O ATOM 2371 H SER A 142 12.819 −4.758 −2.538 1.00 0.00 H ATOM 2372 HA SER A 142 14.278 −2.615 −3.655 1.00 0.00 H ATOM 2373 1HB SER A 142 14.147 −3.414 −0.723 1.00 0.00 H ATOM 2374 2HB SER A 142 14.425 −1.805 −1.355 1.00 0.00 H ATOM 2375 HG SER A 142 12.290 −1.858 −2.193 1.00 0.00 H ATOM 2376 N SER A 143 16.128 −5.019 −2.694 1.00 0.00 N ATOM 2377 CA SER A 143 17.507 −5.471 −2.602 1.00 0.00 C ATOM 2378 C SER A 143 18.304 −5.148 −3.871 1.00 0.00 C ATOM 2379 O SER A 143 19.513 −5.360 −3.904 1.00 0.00 O ATOM 2380 CB SER A 143 17.574 −6.971 −2.310 1.00 0.00 C ATOM 2381 OG SER A 143 18.817 −7.427 −1.812 1.00 0.00 O ATOM 2382 H SER A 143 15.413 −5.723 −2.852 1.00 0.00 H ATOM 2383 HA SER A 143 17.985 −4.946 −1.772 1.00 0.00 H ATOM 2384 1HB SER A 143 16.827 −7.226 −1.557 1.00 0.00 H ATOM 2385 2HB SER A 143 17.313 −7.549 −3.200 1.00 0.00 H ATOM 2386 HG SER A 143 18.748 −8.358 −1.609 1.00 0.00 H ATOM 2387 N ILE A 144 17.641 −4.657 −4.918 1.00 0.00 N ATOM 2388 CA ILE A 144 18.393 −4.287 −6.118 1.00 0.00 C ATOM 2389 C ILE A 144 19.191 −3.011 −5.782 1.00 0.00 C ATOM 2390 O ILE A 144 20.240 −2.750 −6.373 1.00 0.00 O ATOM 2391 CB ILE A 144 17.481 −4.013 −7.358 1.00 0.00 C ATOM 2392 CG1 ILE A 144 16.453 −2.857 −7.221 1.00 0.00 C ATOM 2393 CG2 ILE A 144 16.802 −5.312 −7.819 1.00 0.00 C ATOM 2394 CD1 ILE A 144 15.970 −2.300 −8.568 1.00 0.00 C ATOM 2395 H ILE A 144 16.629 −4.600 −4.918 1.00 0.00 H ATOM 2396 HA ILE A 144 19.095 −5.081 −6.380 1.00 0.00 H ATOM 2397 HB ILE A 144 18.163 −3.723 −8.160 1.00 0.00 H ATOM 2398 1HG1 ILE A 144 15.596 −3.180 −6.636 1.00 0.00 H ATOM 2399 2HG1 ILE A 144 16.867 −2.008 −6.678 1.00 0.00 H ATOM 2400 1HG2 ILE A 144 16.206 −5.169 −8.718 1.00 0.00 H ATOM 2401 2HG2 ILE A 144 17.545 −6.070 −8.053 1.00 0.00 H ATOM 2402 3HG2 ILE A 144 16.152 −5.719 −7.047 1.00 0.00 H ATOM 2403 1HD1 ILE A 144 15.211 −1.537 −8.415 1.00 0.00 H ATOM 2404 2HD1 ILE A 144 16.790 −1.835 −9.116 1.00 0.00 H ATOM 2405 3HD1 ILE A 144 15.532 −3.069 −9.201 1.00 0.00 H ATOM 2406 N ASP A 145 18.698 −2.229 −4.821 1.00 0.00 N ATOM 2407 CA ASP A 145 19.378 −0.988 −4.414 1.00 0.00 C ATOM 2408 C ASP A 145 20.646 −1.344 −3.648 1.00 0.00 C ATOM 2409 O ASP A 145 21.638 −0.609 −3.675 1.00 0.00 O ATOM 2410 CB ASP A 145 18.496 −0.141 −3.485 1.00 0.00 C ATOM 2411 CG ASP A 145 17.444 0.756 −4.188 1.00 0.00 C ATOM 2412 OD1 ASP A 145 17.527 0.986 −5.417 1.00 0.00 O ATOM 2413 OD2 ASP A 145 16.551 1.288 −3.489 1.00 0.00 O ATOM 2414 H ASP A 145 17.810 −2.450 −4.385 1.00 0.00 H ATOM 2415 HA ASP A 145 19.678 −0.412 −5.293 1.00 0.00 H ATOM 2416 1HB ASP A 145 18.009 −0.740 −2.720 1.00 0.00 H ATOM 2417 2HB ASP A 145 19.126 0.563 −2.941 1.00 0.00 H ATOM 2418 N VAL A 146 20.601 −2.469 −2.944 1.00 0.00 N ATOM 2419 CA VAL A 146 21.752 −2.913 −2.159 1.00 0.00 C ATOM 2420 C VAL A 146 22.867 −3.409 −3.093 1.00 0.00 C ATOM 2421 O VAL A 146 24.057 −3.197 −2.832 1.00 0.00 O ATOM 2422 CB VAL A 146 21.338 −4.019 −1.166 1.00 0.00 C ATOM 2423 CG1 VAL A 146 22.495 −4.582 −0.322 1.00 0.00 C ATOM 2424 CG2 VAL A 146 20.201 −3.567 −0.231 1.00 0.00 C ATOM 2425 H VAL A 146 19.758 −3.021 −2.985 1.00 0.00 H ATOM 2426 HA VAL A 146 22.155 −2.067 −1.597 1.00 0.00 H ATOM 2427 HB VAL A 146 20.955 −4.858 −1.750 1.00 0.00 H ATOM 2428 1HG1 VAL A 146 22.180 −5.490 0.182 1.00 0.00 H ATOM 2429 2HG1 VAL A 146 23.366 −4.870 −0.910 1.00 0.00 H ATOM 2430 3HG1 VAL A 146 22.811 −3.868 0.437 1.00 0.00 H ATOM 2431 1HG2 VAL A 146 19.894 −4.384 0.424 1.00 0.00 H ATOM 2432 2HG2 VAL A 146 20.522 −2.738 0.400 1.00 0.00 H ATOM 2433 3HG2 VAL A 146 19.315 −3.242 −0.776 1.00 0.00 H ATOM 2434 N TRP A 147 22.489 −4.066 −4.186 1.00 0.00 N ATOM 2435 CA TRP A 147 23.491 −4.527 −5.136 1.00 0.00 C ATOM 2436 C TRP A 147 24.174 −3.276 −5.698 1.00 0.00 C ATOM 2437 O TRP A 147 25.404 −3.200 −5.725 1.00 0.00 O ATOM 2438 CB TRP A 147 22.845 −5.334 −6.276 1.00 0.00 C ATOM 2439 CG TRP A 147 23.821 −5.694 −7.368 1.00 0.00 C ATOM 2440 CD1 TRP A 147 24.183 −4.879 −8.389 1.00 0.00 C ATOM 2441 CD2 TRP A 147 24.584 −6.924 −7.560 1.00 0.00 C ATOM 2442 NE1 TRP A 147 25.107 −5.511 −9.190 1.00 0.00 N ATOM 2443 CE3 TRP A 147 24.659 −8.167 −6.887 1.00 0.00 C ATOM 2444 CE2 TRP A 147 25.407 −6.768 −8.720 1.00 0.00 C ATOM 2445 CZ3 TRP A 147 25.504 −9.197 −7.350 1.00 0.00 C ATOM 2446 CZ2 TRP A 147 26.260 −7.782 −9.182 1.00 0.00 C ATOM 2447 CH2 TRP A 147 26.305 −9.004 −8.492 1.00 0.00 C ATOM 2448 H TRP A 147 21.505 −4.188 −4.381 1.00 0.00 H ATOM 2449 HA TRP A 147 24.236 −5.146 −4.631 1.00 0.00 H ATOM 2450 1HB TRP A 147 22.396 −6.250 −5.893 1.00 0.00 H ATOM 2451 2HB TRP A 147 22.036 −4.761 −6.729 1.00 0.00 H ATOM 2452 HD1 TRP A 147 23.786 −3.885 −8.548 1.00 0.00 H ATOM 2453 HE1 TRP A 147 25.446 −5.110 −10.055 1.00 0.00 H ATOM 2454 HE3 TRP A 147 24.047 −8.332 −6.014 1.00 0.00 H ATOM 2455 HZ3 TRP A 147 25.538 −10.144 −6.833 1.00 0.00 H ATOM 2456 HZ2 TRP A 147 26.861 −7.634 −10.066 1.00 0.00 H ATOM 2457 HH2 TRP A 147 26.944 −9.796 −8.847 1.00 0.00 H ATOM 2458 N SER A 148 23.368 −2.299 −6.127 1.00 0.00 N ATOM 2459 CA SER A 148 23.882 −1.049 −6.686 1.00 0.00 C ATOM 2460 C SER A 148 24.817 −0.360 −5.700 1.00 0.00 C ATOM 2461 O SER A 148 25.881 0.131 −6.086 1.00 0.00 O ATOM 2462 CB SER A 148 22.739 −0.099 −7.046 1.00 0.00 C ATOM 2463 OG SER A 148 21.858 −0.709 −7.972 1.00 0.00 O ATOM 2464 H SER A 148 22.360 −2.426 −6.140 1.00 0.00 H ATOM 2465 HA SER A 148 24.457 −1.285 −7.584 1.00 0.00 H ATOM 2466 1HB SER A 148 22.171 0.151 −6.151 1.00 0.00 H ATOM 2467 2HB SER A 148 23.138 0.818 −7.478 1.00 0.00 H ATOM 2468 HG SER A 148 22.352 −1.025 −8.730 1.00 0.00 H ATOM 2469 N ALA A 149 24.414 −0.314 −4.431 1.00 0.00 N ATOM 2470 CA ALA A 149 25.255 0.293 −3.399 1.00 0.00 C ATOM 2471 C ALA A 149 26.590 −0.470 −3.313 1.00 0.00 C ATOM 2472 O ALA A 149 27.660 0.128 −3.168 1.00 0.00 O ATOM 2473 CB ALA A 149 24.531 0.269 −2.046 1.00 0.00 C ATOM 2474 H ALA A 149 23.490 −0.658 −4.180 1.00 0.00 H ATOM 2475 HA ALA A 149 25.464 1.329 −3.673 1.00 0.00 H ATOM 2476 1HB ALA A 149 25.136 0.741 −1.271 1.00 0.00 H ATOM 2477 2HB ALA A 149 23.587 0.811 −2.097 1.00 0.00 H ATOM 2478 3HB ALA A 149 24.314 −0.748 −1.722 1.00 0.00 H ATOM 2479 N GLY A 150 26.525 −1.795 −3.407 1.00 0.00 N ATOM 2480 CA GLY A 150 27.734 −2.600 −3.365 1.00 0.00 C ATOM 2481 C GLY A 150 28.645 −2.289 −4.542 1.00 0.00 C ATOM 2482 O GLY A 150 29.867 −2.357 −4.427 1.00 0.00 O ATOM 2483 H GLY A 150 25.625 −2.257 −3.511 1.00 0.00 H ATOM 2484 1HA GLY A 150 28.283 −2.426 −2.440 1.00 0.00 H ATOM 2485 2HA GLY A 150 27.464 −3.656 −3.394 1.00 0.00 H ATOM 2486 N CYS A 151 28.060 −1.947 −5.685 1.00 0.00 N ATOM 2487 CA CYS A 151 28.848 −1.622 −6.873 1.00 0.00 C ATOM 2488 C CYS A 151 29.543 −0.288 −6.651 1.00 0.00 C ATOM 2489 O CYS A 151 30.663 −0.077 −7.115 1.00 0.00 O ATOM 2490 CB CYS A 151 27.948 −1.533 −8.103 1.00 0.00 C ATOM 2491 SG CYS A 151 28.992 −1.462 −9.594 1.00 0.00 S ATOM 2492 H CYS A 151 27.051 −2.029 −5.761 1.00 0.00 H ATOM 2493 HA CYS A 151 29.612 −2.384 −7.040 1.00 0.00 H ATOM 2494 1HB CYS A 151 27.327 −2.427 −8.175 1.00 0.00 H ATOM 2495 2HB CYS A 151 27.274 −0.685 −8.061 1.00 0.00 H ATOM 2496 HG CYS A 151 28.031 −1.642 −10.518 1.00 0.00 H ATOM 2497 N VAL A 152 28.875 0.621 −5.945 1.00 0.00 N ATOM 2498 CA VAL A 152 29.463 1.925 −5.654 1.00 0.00 C ATOM 2499 C VAL A 152 30.643 1.749 −4.691 1.00 0.00 C ATOM 2500 O VAL A 152 31.707 2.336 −4.895 1.00 0.00 O ATOM 2501 CB VAL A 152 28.423 2.906 −5.031 1.00 0.00 C ATOM 2502 CG1 VAL A 152 29.025 4.235 −4.521 1.00 0.00 C ATOM 2503 CG2 VAL A 152 27.305 3.242 −6.033 1.00 0.00 C ATOM 2504 H VAL A 152 27.948 0.402 −5.600 1.00 0.00 H ATOM 2505 HA VAL A 152 29.849 2.358 −6.580 1.00 0.00 H ATOM 2506 HB VAL A 152 27.958 2.423 −4.173 1.00 0.00 H ATOM 2507 1HG1 VAL A 152 28.249 4.906 −4.157 1.00 0.00 H ATOM 2508 2HG1 VAL A 152 29.712 4.088 −3.687 1.00 0.00 H ATOM 2509 3HG1 VAL A 152 29.570 4.755 −5.310 1.00 0.00 H ATOM 2510 1HG2 VAL A 152 26.514 3.831 −5.568 1.00 0.00 H ATOM 2511 2HG2 VAL A 152 27.708 3.819 −6.862 1.00 0.00 H ATOM 2512 3HG2 VAL A 152 26.844 2.355 −6.459 1.00 0.00 H ATOM 2513 N LEU A 153 30.461 0.942 −3.647 1.00 0.00 N ATOM 2514 CA LEU A 153 31.534 0.693 −2.685 1.00 0.00 C ATOM 2515 C LEU A 153 32.768 0.125 −3.396 1.00 0.00 C ATOM 2516 O LEU A 153 33.873 0.630 −3.229 1.00 0.00 O ATOM 2517 CB LEU A 153 31.073 −0.295 −1.600 1.00 0.00 C ATOM 2518 CG LEU A 153 32.083 −0.656 −0.482 1.00 0.00 C ATOM 2519 CD1 LEU A 153 32.383 0.539 0.435 1.00 0.00 C ATOM 2520 CD2 LEU A 153 31.581 −1.855 0.341 1.00 0.00 C ATOM 2521 H LEU A 153 29.551 0.510 −3.516 1.00 0.00 H ATOM 2522 HA LEU A 153 31.809 1.643 −2.222 1.00 0.00 H ATOM 2523 1HB LEU A 153 30.168 0.097 −1.134 1.00 0.00 H ATOM 2524 2HB LEU A 153 30.758 −1.219 −2.088 1.00 0.00 H ATOM 2525 HG LEU A 153 33.023 −0.971 −0.935 1.00 0.00 H ATOM 2526 1HD1 LEU A 153 33.108 0.272 1.205 1.00 0.00 H ATOM 2527 2HD1 LEU A 153 32.803 1.372 −0.127 1.00 0.00 H ATOM 2528 3HD1 LEU A 153 31.484 0.896 0.938 1.00 0.00 H ATOM 2529 1HD2 LEU A 153 32.303 −2.138 1.108 1.00 0.00 H ATOM 2530 2HD2 LEU A 153 30.638 −1.630 0.839 1.00 0.00 H ATOM 2531 3HD2 LEU A 153 31.424 −2.730 −0.290 1.00 0.00 H ATOM 2532 N ALA A 154 32.575 −0.923 −4.190 1.00 0.00 N ATOM 2533 CA ALA A 154 33.688 −1.548 −4.909 1.00 0.00 C ATOM 2534 C ALA A 154 34.400 −0.541 −5.802 1.00 0.00 C ATOM 2535 O ALA A 154 35.629 −0.524 −5.876 1.00 0.00 O ATOM 2536 CB ALA A 154 33.178 −2.734 −5.747 1.00 0.00 C ATOM 2537 H ALA A 154 31.642 −1.314 −4.279 1.00 0.00 H ATOM 2538 HA ALA A 154 34.402 −1.918 −4.171 1.00 0.00 H ATOM 2539 1HB ALA A 154 34.004 −3.201 −6.278 1.00 0.00 H ATOM 2540 2HB ALA A 154 32.707 −3.494 −5.124 1.00 0.00 H ATOM 2541 3HB ALA A 154 32.443 −2.412 −6.485 1.00 0.00 H ATOM 2542 N GLU A 155 33.624 0.310 −6.468 1.00 0.00 N ATOM 2543 CA GLU A 155 34.177 1.330 −7.358 1.00 0.00 C ATOM 2544 C GLU A 155 35.027 2.363 −6.608 1.00 0.00 C ATOM 2545 O GLU A 155 36.045 2.826 −7.119 1.00 0.00 O ATOM 2546 CB GLU A 155 33.043 2.032 −8.103 1.00 0.00 C ATOM 2547 CG GLU A 155 33.431 3.309 −8.888 1.00 0.00 C ATOM 2548 CD GLU A 155 32.411 3.716 −9.941 1.00 0.00 C ATOM 2549 OE1 GLU A 155 31.200 3.510 −9.713 1.00 0.00 O ATOM 2550 OE2 GLU A 155 32.856 4.239 −10.980 1.00 0.00 O ATOM 2551 H GLU A 155 32.615 0.248 −6.376 1.00 0.00 H ATOM 2552 HA GLU A 155 34.823 0.829 −8.074 1.00 0.00 H ATOM 2553 1HB GLU A 155 32.587 1.315 −8.787 1.00 0.00 H ATOM 2554 2HB GLU A 155 32.248 2.307 −7.411 1.00 0.00 H ATOM 2555 1HG GLU A 155 33.564 4.154 −8.213 1.00 0.00 H ATOM 2556 2HG GLU A 155 34.383 3.159 −9.395 1.00 0.00 H ATOM 2557 N LEU A 156 34.602 2.738 −5.404 1.00 0.00 N ATOM 2558 CA LEU A 156 35.364 3.709 −4.612 1.00 0.00 C ATOM 2559 C LEU A 156 36.662 3.074 −4.120 1.00 0.00 C ATOM 2560 O LEU A 156 37.673 3.756 −3.954 1.00 0.00 O ATOM 2561 CB LEU A 156 34.541 4.191 −3.415 1.00 0.00 C ATOM 2562 CG LEU A 156 33.344 5.068 −3.838 1.00 0.00 C ATOM 2563 CD1 LEU A 156 32.360 5.221 −2.680 1.00 0.00 C ATOM 2564 CD2 LEU A 156 33.784 6.453 −4.346 1.00 0.00 C ATOM 2565 H LEU A 156 33.712 2.392 −5.055 1.00 0.00 H ATOM 2566 HA LEU A 156 35.656 4.549 −5.241 1.00 0.00 H ATOM 2567 1HB LEU A 156 34.209 3.342 −2.816 1.00 0.00 H ATOM 2568 2HB LEU A 156 35.183 4.821 −2.807 1.00 0.00 H ATOM 2569 HG LEU A 156 32.807 4.580 −4.650 1.00 0.00 H ATOM 2570 1HD1 LEU A 156 31.497 5.815 −2.979 1.00 0.00 H ATOM 2571 2HD1 LEU A 156 31.992 4.253 −2.341 1.00 0.00 H ATOM 2572 3HD1 LEU A 156 32.831 5.720 −1.831 1.00 0.00 H ATOM 2573 1HD2 LEU A 156 32.921 7.051 −4.631 1.00 0.00 H ATOM 2574 2HD2 LEU A 156 34.328 7.006 −3.579 1.00 0.00 H ATOM 2575 3HD2 LEU A 156 34.420 6.387 −5.227 1.00 0.00 H ATOM 2576 N LEU A 157 36.627 1.765 −3.883 1.00 0.00 N ATOM 2577 CA LEU A 157 37.800 1.026 −3.421 1.00 0.00 C ATOM 2578 C LEU A 157 38.755 0.746 −4.582 1.00 0.00 C ATOM 2579 O LEU A 157 39.975 0.845 −4.429 1.00 0.00 O ATOM 2580 CB LEU A 157 37.378 −0.307 −2.790 1.00 0.00 C ATOM 2581 CG LEU A 157 36.679 −0.236 −1.430 1.00 0.00 C ATOM 2582 CD1 LEU A 157 35.936 −1.550 −1.138 1.00 0.00 C ATOM 2583 CD2 LEU A 157 37.715 0.056 −0.345 1.00 0.00 C ATOM 2584 H LEU A 157 35.735 1.286 −3.966 1.00 0.00 H ATOM 2585 HA LEU A 157 38.348 1.620 −2.688 1.00 0.00 H ATOM 2586 1HB LEU A 157 36.714 −0.810 −3.492 1.00 0.00 H ATOM 2587 2HB LEU A 157 38.241 −0.970 −2.706 1.00 0.00 H ATOM 2588 HG LEU A 157 35.936 0.561 −1.452 1.00 0.00 H ATOM 2589 1HD1 LEU A 157 35.368 −1.485 −0.211 1.00 0.00 H ATOM 2590 2HD1 LEU A 157 35.220 −1.783 −1.926 1.00 0.00 H ATOM 2591 3HD1 LEU A 157 36.622 −2.395 −1.056 1.00 0.00 H ATOM 2592 1HD2 LEU A 157 37.312 −0.112 0.651 1.00 0.00 H ATOM 2593 2HD2 LEU A 157 38.576 −0.589 −0.458 1.00 0.00 H ATOM 2594 3HD2 LEU A 157 38.085 1.076 −0.413 1.00 0.00 H ATOM 2595 N LEU A 158 38.192 0.404 −5.738 1.00 0.00 N ATOM 2596 CA LEU A 158 38.969 0.082 −6.935 1.00 0.00 C ATOM 2597 C LEU A 158 39.458 1.280 −7.726 1.00 0.00 C ATOM 2598 O LEU A 158 40.559 1.256 −8.276 1.00 0.00 O ATOM 2599 CB LEU A 158 38.143 −0.785 −7.880 1.00 0.00 C ATOM 2600 CG LEU A 158 37.913 −2.231 −7.417 1.00 0.00 C ATOM 2601 CD1 LEU A 158 36.810 −2.880 −8.257 1.00 0.00 C ATOM 2602 CD2 LEU A 158 39.189 −3.084 −7.462 1.00 0.00 C ATOM 2603 H LEU A 158 37.182 0.258 −5.765 1.00 0.00 H ATOM 2604 HA LEU A 158 39.861 −0.469 −6.637 1.00 0.00 H ATOM 2605 1HB LEU A 158 37.180 −0.299 −8.050 1.00 0.00 H ATOM 2606 2HB LEU A 158 38.611 −0.827 −8.866 1.00 0.00 H ATOM 2607 HG LEU A 158 37.557 −2.202 −6.391 1.00 0.00 H ATOM 2608 1HD1 LEU A 158 36.602 −3.894 −7.919 1.00 0.00 H ATOM 2609 2HD1 LEU A 158 35.892 −2.301 −8.172 1.00 0.00 H ATOM 2610 3HD1 LEU A 158 37.078 −2.925 −9.313 1.00 0.00 H ATOM 2611 1HD2 LEU A 158 38.972 −4.100 −7.132 1.00 0.00 H ATOM 2612 2HD2 LEU A 158 39.598 −3.148 −8.470 1.00 0.00 H ATOM 2613 3HD2 LEU A 158 39.968 −2.700 −6.806 1.00 0.00 H ATOM 2614 N GLY A 159 38.634 2.317 −7.808 1.00 0.00 N ATOM 2615 CA GLY A 159 39.017 3.490 −8.569 1.00 0.00 C ATOM 2616 C GLY A 159 38.383 3.461 −9.944 1.00 0.00 C ATOM 2617 O GLY A 159 38.647 4.326 −10.780 1.00 0.00 O ATOM 2618 H GLY A 159 37.719 2.319 −7.356 1.00 0.00 H ATOM 2619 1HA GLY A 159 38.639 4.369 −8.045 1.00 0.00 H ATOM 2620 2HA GLY A 159 40.095 3.631 −8.661 1.00 0.00 H ATOM 2621 N GLN A 160 37.540 2.460 −10.179 1.00 0.00 N ATOM 2622 CA GLN A 160 36.837 2.318 −11.454 1.00 0.00 C ATOM 2623 C GLN A 160 35.677 1.338 −11.270 1.00 0.00 C ATOM 2624 O GLN A 160 35.674 0.549 −10.326 1.00 0.00 O ATOM 2625 CB GLN A 160 37.795 1.790 −12.525 1.00 0.00 C ATOM 2626 CG GLN A 160 38.411 0.396 −12.243 1.00 0.00 C ATOM 2627 CD GLN A 160 39.469 0.003 −13.272 1.00 0.00 C ATOM 2628 OE1 GLN A 160 39.436 0.441 −14.419 1.00 0.00 O ATOM 2629 NE2 GLN A 160 40.430 −0.819 −12.873 1.00 0.00 N ATOM 2630 H GLN A 160 37.304 1.805 −9.447 1.00 0.00 H ATOM 2631 HA GLN A 160 36.443 3.295 −11.737 1.00 0.00 H ATOM 2632 1HB GLN A 160 37.286 1.751 −13.487 1.00 0.00 H ATOM 2633 2HB GLN A 160 38.601 2.510 −12.674 1.00 0.00 H ATOM 2634 1HG GLN A 160 38.864 0.384 −11.252 1.00 0.00 H ATOM 2635 2HG GLN A 160 37.641 −0.377 −12.247 1.00 0.00 H ATOM 2636 1HE2 GLN A 160 41.149 −1.101 −13.521 1.00 0.00 H ATOM 2637 2HE2 GLN A 160 40.445 −1.173 −11.930 1.00 0.00 H ATOM 2638 N PRO A 161 34.679 1.368 −12.175 1.00 0.00 N ATOM 2639 CA PRO A 161 33.539 0.443 −12.040 1.00 0.00 C ATOM 2640 C PRO A 161 33.990 −1.016 −11.944 1.00 0.00 C ATOM 2641 O PRO A 161 34.923 −1.431 −12.638 1.00 0.00 O ATOM 2642 CB PRO A 161 32.699 0.706 −13.297 1.00 0.00 C ATOM 2643 CG PRO A 161 33.051 2.111 −13.753 1.00 0.00 C ATOM 2644 CD PRO A 161 34.469 2.350 −13.243 1.00 0.00 C ATOM 2645 HA PRO A 161 32.975 0.728 −11.150 1.00 0.00 H ATOM 2646 1HB PRO A 161 32.959 0.003 −14.091 1.00 0.00 H ATOM 2647 2HB PRO A 161 31.631 0.595 −13.107 1.00 0.00 H ATOM 2648 1HG PRO A 161 32.373 2.820 −13.272 1.00 0.00 H ATOM 2649 2HG PRO A 161 32.958 2.246 −14.831 1.00 0.00 H ATOM 2650 1HD PRO A 161 34.570 3.378 −12.892 1.00 0.00 H ATOM 2651 2HD PRO A 161 35.184 2.184 −14.048 1.00 0.00 H ATOM 2652 N ILE A 162 33.330 −1.797 −11.094 1.00 0.00 N ATOM 2653 CA ILE A 162 33.710 −3.197 −10.933 1.00 0.00 C ATOM 2654 C ILE A 162 33.090 −4.150 −11.962 1.00 0.00 C ATOM 2655 O ILE A 162 33.675 −5.186 −12.269 1.00 0.00 O ATOM 2656 CB ILE A 162 33.395 −3.705 −9.500 1.00 0.00 C ATOM 2657 CG1 ILE A 162 33.832 −5.177 −9.257 1.00 0.00 C ATOM 2658 CG2 ILE A 162 31.925 −3.475 −9.086 1.00 0.00 C ATOM 2659 CD1 ILE A 162 33.945 −5.614 −7.792 1.00 0.00 C ATOM 2660 H ILE A 162 32.603 −1.414 −10.509 1.00 0.00 H ATOM 2661 HA ILE A 162 34.793 −3.278 −11.051 1.00 0.00 H ATOM 2662 HB ILE A 162 33.989 −3.095 −8.825 1.00 0.00 H ATOM 2663 1HG1 ILE A 162 33.137 −5.854 −9.755 1.00 0.00 H ATOM 2664 2HG1 ILE A 162 34.801 −5.347 −9.727 1.00 0.00 H ATOM 2665 1HG2 ILE A 162 31.704 −3.886 −8.103 1.00 0.00 H ATOM 2666 2HG2 ILE A 162 31.688 −2.413 −9.037 1.00 0.00 H ATOM 2667 3HG2 ILE A 162 31.227 −3.942 −9.779 1.00 0.00 H ATOM 2668 1HD1 ILE A 162 34.204 −6.672 −7.742 1.00 0.00 H ATOM 2669 2HD1 ILE A 162 34.726 −5.068 −7.266 1.00 0.00 H ATOM 2670 3HD1 ILE A 162 33.009 −5.486 −7.249 1.00 0.00 H ATOM 2671 N PHE A 163 31.930 −3.805 −12.507 1.00 0.00 N ATOM 2672 CA PHE A 163 31.277 −4.663 −13.498 1.00 0.00 C ATOM 2673 C PHE A 163 30.937 −3.883 −14.768 1.00 0.00 C ATOM 2674 O PHE A 163 29.770 −3.686 −15.092 1.00 0.00 O ATOM 2675 CB PHE A 163 29.988 −5.282 −12.932 1.00 0.00 C ATOM 2676 CG PHE A 163 30.137 −6.077 −11.644 1.00 0.00 C ATOM 2677 CD1 PHE A 163 31.104 −7.100 −11.532 1.00 0.00 C ATOM 2678 CD2 PHE A 163 29.301 −5.791 −10.543 1.00 0.00 C ATOM 2679 CE1 PHE A 163 31.238 −7.822 −10.331 1.00 0.00 C ATOM 2680 CE2 PHE A 163 29.435 −6.518 −9.346 1.00 0.00 C ATOM 2681 CZ PHE A 163 30.399 −7.538 −9.238 1.00 0.00 C ATOM 2682 H PHE A 163 31.479 −2.951 −12.218 1.00 0.00 H ATOM 2683 HA PHE A 163 31.911 −5.482 −13.836 1.00 0.00 H ATOM 2684 1HB PHE A 163 29.248 −4.499 −12.756 1.00 0.00 H ATOM 2685 2HB PHE A 163 29.547 −5.952 −13.673 1.00 0.00 H ATOM 2686 HD1 PHE A 163 31.760 −7.332 −12.359 1.00 0.00 H ATOM 2687 HD2 PHE A 163 28.558 −5.008 −10.605 1.00 0.00 H ATOM 2688 HE1 PHE A 163 31.985 −8.598 −10.254 1.00 0.00 H ATOM 2689 HE2 PHE A 163 28.792 −6.290 −8.510 1.00 0.00 H ATOM 2690 HZ PHE A 163 30.497 −8.098 −8.320 1.00 0.00 H ATOM 2691 N PRO A 164 31.960 −3.433 −15.511 1.00 0.00 N ATOM 2692 CA PRO A 164 31.705 −2.680 −16.741 1.00 0.00 C ATOM 2693 C PRO A 164 31.240 −3.600 −17.863 1.00 0.00 C ATOM 2694 O PRO A 164 31.330 −4.819 −17.751 1.00 0.00 O ATOM 2695 CB PRO A 164 33.054 −2.045 −17.047 1.00 0.00 C ATOM 2696 CG PRO A 164 34.088 −3.020 −16.506 1.00 0.00 C ATOM 2697 CD PRO A 164 33.399 −3.615 −15.283 1.00 0.00 C ATOM 2698 HA PRO A 164 30.959 −1.909 −16.564 1.00 0.00 H ATOM 2699 1HB PRO A 164 33.204 −1.826 −18.105 1.00 0.00 H ATOM 2700 2HB PRO A 164 33.133 −1.097 −16.512 1.00 0.00 H ATOM 2701 1HG PRO A 164 35.041 −2.547 −16.268 1.00 0.00 H ATOM 2702 2HG PRO A 164 34.276 −3.805 −17.241 1.00 0.00 H ATOM 2703 1HD PRO A 164 33.704 −3.048 −14.406 1.00 0.00 H ATOM 2704 2HD PRO A 164 33.676 −4.661 −15.137 1.00 0.00 H ATOM 2705 N GLY A 165 30.745 −3.009 −18.946 1.00 0.00 N ATOM 2706 CA GLY A 165 30.272 −3.794 −20.072 1.00 0.00 C ATOM 2707 C GLY A 165 29.275 −3.010 −20.902 1.00 0.00 C ATOM 2708 O GLY A 165 28.410 −2.325 −20.353 1.00 0.00 O ATOM 2709 H GLY A 165 30.641 −2.006 −18.990 1.00 0.00 H ATOM 2710 1HA GLY A 165 31.129 −4.086 −20.680 1.00 0.00 H ATOM 2711 2HA GLY A 165 29.787 −4.716 −19.748 1.00 0.00 H ATOM 2712 N ASP A 166 29.388 −3.107 −22.224 1.00 0.00 N ATOM 2713 CA ASP A 166 28.481 −2.383 −23.109 1.00 0.00 C ATOM 2714 C ASP A 166 27.170 −3.126 −23.350 1.00 0.00 C ATOM 2715 O ASP A 166 26.191 −2.536 −23.805 1.00 0.00 O ATOM 2716 CB ASP A 166 29.172 −2.076 −24.441 1.00 0.00 C ATOM 2717 CG ASP A 166 30.266 −1.018 −24.359 1.00 0.00 C ATOM 2718 OD1 ASP A 166 29.927 0.154 −24.106 1.00 0.00 O ATOM 2719 OD2 ASP A 166 31.442 −1.364 −24.586 1.00 0.00 O ATOM 2720 H ASP A 166 30.100 −3.694 −22.635 1.00 0.00 H ATOM 2721 HA ASP A 166 28.164 −1.447 −22.644 1.00 0.00 H ATOM 2722 1HB ASP A 166 29.583 −2.990 −24.873 1.00 0.00 H ATOM 2723 2HB ASP A 166 28.442 −1.708 −25.164 1.00 0.00 H ATOM 2724 N SER A 167 27.154 −4.417 −23.047 1.00 0.00 N ATOM 2725 CA SER A 167 25.948 −5.220 −23.205 1.00 0.00 C ATOM 2726 C SER A 167 25.707 −5.999 −21.918 1.00 0.00 C ATOM 2727 O SER A 167 26.609 −6.125 −21.090 1.00 0.00 O ATOM 2728 CB SER A 167 26.097 −6.201 −24.370 1.00 0.00 C ATOM 2729 OG SER A 167 24.876 −6.796 −24.795 1.00 0.00 O ATOM 2730 H SER A 167 27.956 −4.846 −22.612 1.00 0.00 H ATOM 2731 HA SER A 167 25.065 −4.601 −23.379 1.00 0.00 H ATOM 2732 1HB SER A 167 26.499 −5.663 −25.229 1.00 0.00 H ATOM 2733 2HB SER A 167 26.829 −6.979 −24.143 1.00 0.00 H ATOM 2734 HG SER A 167 24.668 −7.527 −24.232 1.00 0.00 H ATOM 2735 N GLY A 168 24.493 −6.519 −21.762 1.00 0.00 N ATOM 2736 CA GLY A 168 24.166 −7.294 −20.581 1.00 0.00 C ATOM 2737 C GLY A 168 25.054 −8.513 −20.455 1.00 0.00 C ATOM 2738 O GLY A 168 25.481 −8.872 −19.364 1.00 0.00 O ATOM 2739 H GLY A 168 23.789 −6.387 −22.472 1.00 0.00 H ATOM 2740 1HA GLY A 168 24.265 −6.674 −19.688 1.00 0.00 H ATOM 2741 2HA GLY A 168 23.126 −7.617 −20.633 1.00 0.00 H ATOM 2742 N VAL A 169 25.336 −9.161 −21.580 1.00 0.00 N ATOM 2743 CA VAL A 169 26.189 −10.347 −21.566 1.00 0.00 C ATOM 2744 C VAL A 169 27.579 −10.018 −21.016 1.00 0.00 C ATOM 2745 O VAL A 169 28.121 −10.769 −20.203 1.00 0.00 O ATOM 2746 CB VAL A 169 26.352 −10.948 −22.987 1.00 0.00 C ATOM 2747 CG1 VAL A 169 27.086 −12.306 −22.987 1.00 0.00 C ATOM 2748 CG2 VAL A 169 24.995 −11.112 −23.702 1.00 0.00 C ATOM 2749 H VAL A 169 25.036 −8.780 −22.465 1.00 0.00 H ATOM 2750 HA VAL A 169 25.737 −11.092 −20.907 1.00 0.00 H ATOM 2751 HB VAL A 169 26.946 −10.261 −23.594 1.00 0.00 H ATOM 2752 1HG1 VAL A 169 27.160 −12.715 −23.995 1.00 0.00 H ATOM 2753 2HG1 VAL A 169 28.105 −12.225 −22.607 1.00 0.00 H ATOM 2754 3HG1 VAL A 169 26.563 −13.040 −22.371 1.00 0.00 H ATOM 2755 1HG2 VAL A 169 25.120 −11.574 −24.682 1.00 0.00 H ATOM 2756 2HG2 VAL A 169 24.318 −11.743 −23.125 1.00 0.00 H ATOM 2757 3HG2 VAL A 169 24.497 −10.157 −23.869 1.00 0.00 H ATOM 2758 N ASP A 170 28.147 −8.896 −21.457 1.00 0.00 N ATOM 2759 CA ASP A 170 29.472 −8.481 −21.003 1.00 0.00 C ATOM 2760 C ASP A 170 29.478 −8.219 −19.506 1.00 0.00 C ATOM 2761 O ASP A 170 30.381 −8.658 −18.797 1.00 0.00 O ATOM 2762 CB ASP A 170 29.920 −7.220 −21.736 1.00 0.00 C ATOM 2763 CG ASP A 170 30.002 −7.305 −23.252 1.00 0.00 C ATOM 2764 OD1 ASP A 170 30.527 −8.310 −23.768 1.00 0.00 O ATOM 2765 OD2 ASP A 170 29.533 −6.339 −23.886 1.00 0.00 O ATOM 2766 H ASP A 170 27.643 −8.329 −22.127 1.00 0.00 H ATOM 2767 HA ASP A 170 30.181 −9.291 −21.190 1.00 0.00 H ATOM 2768 1HB ASP A 170 29.262 −6.388 −21.484 1.00 0.00 H ATOM 2769 2HB ASP A 170 30.911 −6.932 −21.384 1.00 0.00 H ATOM 2770 N GLN A 171 28.473 −7.486 −19.039 1.00 0.00 N ATOM 2771 CA GLN A 171 28.334 −7.179 −17.621 1.00 0.00 C ATOM 2772 C GLN A 171 28.253 −8.476 −16.811 1.00 0.00 C ATOM 2773 O GLN A 171 28.926 −8.619 −15.795 1.00 0.00 O ATOM 2774 CB GLN A 171 27.068 −6.353 −17.384 1.00 0.00 C ATOM 2775 CG GLN A 171 27.139 −5.569 −16.050 1.00 0.00 C ATOM 2776 CD GLN A 171 25.799 −5.043 −15.540 1.00 0.00 C ATOM 2777 OE1 GLN A 171 24.905 −4.722 −16.320 1.00 0.00 O ATOM 2778 NE2 GLN A 171 25.637 −4.959 −14.224 1.00 0.00 N ATOM 2779 H GLN A 171 27.771 −7.154 −19.692 1.00 0.00 H ATOM 2780 HA GLN A 171 29.211 −6.623 −17.281 1.00 0.00 H ATOM 2781 1HB GLN A 171 26.940 −5.630 −18.191 1.00 0.00 H ATOM 2782 2HB GLN A 171 26.178 −6.984 −17.413 1.00 0.00 H ATOM 2783 1HG GLN A 171 27.578 −6.194 −15.271 1.00 0.00 H ATOM 2784 2HG GLN A 171 27.807 −4.720 −16.180 1.00 0.00 H ATOM 2785 1HE2 GLN A 171 24.729 −4.776 −13.815 1.00 0.00 H ATOM 2786 2HE2 GLN A 171 26.388 −5.233 −13.610 1.00 0.00 H ATOM 2787 N LEU A 172 27.430 −9.418 −17.269 1.00 0.00 N ATOM 2788 CA LEU A 172 27.269 −10.706 −16.589 1.00 0.00 C ATOM 2789 C LEU A 172 28.566 −11.495 −16.556 1.00 0.00 C ATOM 2790 O LEU A 172 28.867 −12.168 −15.574 1.00 0.00 O ATOM 2791 CB LEU A 172 26.187 −11.544 −17.270 1.00 0.00 C ATOM 2792 CG LEU A 172 24.747 −11.145 −16.892 1.00 0.00 C ATOM 2793 CD1 LEU A 172 23.739 −11.736 −17.889 1.00 0.00 C ATOM 2794 CD2 LEU A 172 24.379 −11.564 −15.457 1.00 0.00 C ATOM 2795 H LEU A 172 26.884 −9.240 −18.108 1.00 0.00 H ATOM 2796 HA LEU A 172 27.019 −10.512 −15.548 1.00 0.00 H ATOM 2797 1HB LEU A 172 26.317 −11.482 −18.351 1.00 0.00 H ATOM 2798 2HB LEU A 172 26.315 −12.602 −17.029 1.00 0.00 H ATOM 2799 HG LEU A 172 24.680 −10.060 −16.951 1.00 0.00 H ATOM 2800 1HD1 LEU A 172 22.716 −11.465 −17.625 1.00 0.00 H ATOM 2801 2HD1 LEU A 172 23.924 −11.371 −18.900 1.00 0.00 H ATOM 2802 3HD1 LEU A 172 23.793 −12.825 −17.910 1.00 0.00 H ATOM 2803 1HD2 LEU A 172 23.344 −11.307 −15.225 1.00 0.00 H ATOM 2804 2HD2 LEU A 172 24.485 −12.640 −15.318 1.00 0.00 H ATOM 2805 3HD2 LEU A 172 25.003 −11.072 −14.711 1.00 0.00 H ATOM 2806 N VAL A 173 29.338 −11.420 −17.631 1.00 0.00 N ATOM 2807 CA VAL A 173 30.609 −12.131 −17.676 1.00 0.00 C ATOM 2808 C VAL A 173 31.558 −11.541 −16.636 1.00 0.00 C ATOM 2809 O VAL A 173 32.305 −12.269 −15.987 1.00 0.00 O ATOM 2810 CB VAL A 173 31.261 −12.040 −19.082 1.00 0.00 C ATOM 2811 CG1 VAL A 173 32.772 −12.358 −19.164 1.00 0.00 C ATOM 2812 CG2 VAL A 173 30.520 −12.972 −20.060 1.00 0.00 C ATOM 2813 H VAL A 173 29.019 −10.910 −18.450 1.00 0.00 H ATOM 2814 HA VAL A 173 30.447 −13.181 −17.423 1.00 0.00 H ATOM 2815 HB VAL A 173 31.141 −11.020 −19.448 1.00 0.00 H ATOM 2816 1HG1 VAL A 173 33.109 −12.402 −20.200 1.00 0.00 H ATOM 2817 2HG1 VAL A 173 33.375 −11.590 −18.679 1.00 0.00 H ATOM 2818 3HG1 VAL A 173 33.006 −13.317 −18.699 1.00 0.00 H ATOM 2819 1HG2 VAL A 173 30.816 −12.780 −21.092 1.00 0.00 H ATOM 2820 2HG2 VAL A 173 30.733 −14.020 −19.843 1.00 0.00 H ATOM 2821 3HG2 VAL A 173 29.439 −12.854 −20.006 1.00 0.00 H ATOM 2822 N GLU A 174 31.526 −10.219 −16.484 1.00 0.00 N ATOM 2823 CA GLU A 174 32.376 −9.535 −15.513 1.00 0.00 C ATOM 2824 C GLU A 174 31.950 −9.904 −14.092 1.00 0.00 C ATOM 2825 O GLU A 174 32.772 −9.950 −13.179 1.00 0.00 O ATOM 2826 CB GLU A 174 32.277 −8.018 −15.688 1.00 0.00 C ATOM 2827 CG GLU A 174 33.034 −7.479 −16.927 1.00 0.00 C ATOM 2828 CD GLU A 174 34.469 −7.976 −17.039 1.00 0.00 C ATOM 2829 OE1 GLU A 174 35.284 −7.701 −16.140 1.00 0.00 O ATOM 2830 OE2 GLU A 174 34.774 −8.750 −17.968 1.00 0.00 O ATOM 2831 H GLU A 174 30.930 −9.660 −17.088 1.00 0.00 H ATOM 2832 HA GLU A 174 33.403 −9.884 −15.627 1.00 0.00 H ATOM 2833 1HB GLU A 174 31.243 −7.680 −15.712 1.00 0.00 H ATOM 2834 2HB GLU A 174 32.724 −7.537 −14.816 1.00 0.00 H ATOM 2835 1HG GLU A 174 32.506 −7.737 −17.842 1.00 0.00 H ATOM 2836 2HG GLU A 174 33.071 −6.393 −16.888 1.00 0.00 H ATOM 2837 N ILE A 175 30.659 −10.161 −13.908 1.00 0.00 N ATOM 2838 CA ILE A 175 30.147 −10.534 −12.596 1.00 0.00 C ATOM 2839 C ILE A 175 30.566 −11.973 −12.312 1.00 0.00 C ATOM 2840 O ILE A 175 31.012 −12.300 −11.214 1.00 0.00 O ATOM 2841 CB ILE A 175 28.605 −10.432 −12.537 1.00 0.00 C ATOM 2842 CG1 ILE A 175 28.182 −8.941 −12.582 1.00 0.00 C ATOM 2843 CG2 ILE A 175 27.977 −11.083 −11.281 1.00 0.00 C ATOM 2844 CD1 ILE A 175 26.703 −8.682 −12.916 1.00 0.00 C ATOM 2845 H ILE A 175 30.015 −10.008 −14.675 1.00 0.00 H ATOM 2846 HA ILE A 175 30.579 −9.901 −11.823 1.00 0.00 H ATOM 2847 HB ILE A 175 28.186 −10.935 −13.408 1.00 0.00 H ATOM 2848 1HG1 ILE A 175 28.421 −8.475 −11.626 1.00 0.00 H ATOM 2849 2HG1 ILE A 175 28.785 −8.400 −13.309 1.00 0.00 H ATOM 2850 1HG2 ILE A 175 26.903 −10.913 −11.219 1.00 0.00 H ATOM 2851 2HG2 ILE A 175 28.106 −12.165 −11.266 1.00 0.00 H ATOM 2852 3HG2 ILE A 175 28.432 −10.685 −10.374 1.00 0.00 H ATOM 2853 1HD1 ILE A 175 26.505 −7.611 −12.956 1.00 0.00 H ATOM 2854 2HD1 ILE A 175 26.433 −9.097 −13.885 1.00 0.00 H ATOM 2855 3HD1 ILE A 175 26.029 −9.100 −12.169 1.00 0.00 H ATOM 2856 N ILE A 176 30.432 −12.823 −13.324 1.00 0.00 N ATOM 2857 CA ILE A 176 30.792 −14.227 −13.191 1.00 0.00 C ATOM 2858 C ILE A 176 32.285 −14.402 −12.915 1.00 0.00 C ATOM 2859 O ILE A 176 32.684 −15.301 −12.176 1.00 0.00 O ATOM 2860 CB ILE A 176 30.380 −15.012 −14.460 1.00 0.00 C ATOM 2861 CG1 ILE A 176 28.839 −15.135 −14.534 1.00 0.00 C ATOM 2862 CG2 ILE A 176 30.998 −16.426 −14.603 1.00 0.00 C ATOM 2863 CD1 ILE A 176 28.288 −15.453 −15.933 1.00 0.00 C ATOM 2864 H ILE A 176 29.987 −12.509 −14.184 1.00 0.00 H ATOM 2865 HA ILE A 176 30.282 −14.646 −12.326 1.00 0.00 H ATOM 2866 HB ILE A 176 30.715 −14.434 −15.322 1.00 0.00 H ATOM 2867 1HG1 ILE A 176 28.513 −15.898 −13.832 1.00 0.00 H ATOM 2868 2HG1 ILE A 176 28.363 −14.218 −14.185 1.00 0.00 H ATOM 2869 1HG2 ILE A 176 30.624 −16.956 −15.478 1.00 0.00 H ATOM 2870 2HG2 ILE A 176 32.078 −16.389 −14.723 1.00 0.00 H ATOM 2871 3HG2 ILE A 176 30.787 −17.040 −13.732 1.00 0.00 H ATOM 2872 1HD1 ILE A 176 27.197 −15.463 −15.922 1.00 0.00 H ATOM 2873 2HD1 ILE A 176 28.598 −14.705 −16.662 1.00 0.00 H ATOM 2874 3HD1 ILE A 176 28.616 −16.427 −16.289 1.00 0.00 H ATOM 2875 N LYS A 177 33.110 −13.538 −13.490 1.00 0.00 N ATOM 2876 CA LYS A 177 34.544 −13.631 −13.268 1.00 0.00 C ATOM 2877 C LYS A 177 34.888 −13.423 −11.795 1.00 0.00 C ATOM 2878 O LYS A 177 35.833 −14.026 −11.278 1.00 0.00 O ATOM 2879 CB LYS A 177 35.277 −12.600 −14.122 1.00 0.00 C ATOM 2880 CG LYS A 177 35.489 −13.037 −15.585 1.00 0.00 C ATOM 2881 CD LYS A 177 35.711 −11.874 −16.573 1.00 0.00 C ATOM 2882 CE LYS A 177 36.788 −10.859 −16.151 1.00 0.00 C ATOM 2883 NZ LYS A 177 37.003 −9.838 −17.184 1.00 0.00 N ATOM 2884 H LYS A 177 32.741 −12.864 −14.155 1.00 0.00 H ATOM 2885 HA LYS A 177 34.881 −14.624 −13.551 1.00 0.00 H ATOM 2886 1HB LYS A 177 34.726 −11.658 −14.088 1.00 0.00 H ATOM 2887 2HB LYS A 177 36.257 −12.381 −13.692 1.00 0.00 H ATOM 2888 1HG LYS A 177 36.327 −13.733 −15.633 1.00 0.00 H ATOM 2889 2HG LYS A 177 34.619 −13.598 −15.928 1.00 0.00 H ATOM 2890 1HD LYS A 177 35.961 −12.293 −17.548 1.00 0.00 H ATOM 2891 2HD LYS A 177 34.769 −11.346 −16.714 1.00 0.00 H ATOM 2892 1HE LYS A 177 36.486 −10.344 −15.238 1.00 0.00 H ATOM 2893 2HE LYS A 177 37.734 −11.360 −15.945 1.00 0.00 H ATOM 2894 1HZ LYS A 177 37.588 −9.101 −16.834 1.00 0.00 H ATOM 2895 2HZ LYS A 177 37.385 −10.225 −18.026 1.00 0.00 H ATOM 2896 3HZ LYS A 177 36.100 −9.385 −17.421 1.00 0.00 H ATOM 2897 N VAL A 178 34.118 −12.577 −11.116 1.00 0.00 N ATOM 2898 CA VAL A 178 34.367 −12.307 −9.707 1.00 0.00 C ATOM 2899 C VAL A 178 33.604 −13.270 −8.805 1.00 0.00 C ATOM 2900 O VAL A 178 34.195 −13.912 −7.940 1.00 0.00 O ATOM 2901 CB VAL A 178 33.966 −10.861 −9.320 1.00 0.00 C ATOM 2902 CG1 VAL A 178 34.209 −10.515 −7.835 1.00 0.00 C ATOM 2903 CG2 VAL A 178 34.711 −9.827 −10.189 1.00 0.00 C ATOM 2904 H VAL A 178 33.339 −12.127 −11.579 1.00 0.00 H ATOM 2905 HA VAL A 178 35.424 −12.383 −9.506 1.00 0.00 H ATOM 2906 HB VAL A 178 32.899 −10.730 −9.514 1.00 0.00 H ATOM 2907 1HG1 VAL A 178 34.025 −9.459 −7.639 1.00 0.00 H ATOM 2908 2HG1 VAL A 178 33.556 −11.072 −7.163 1.00 0.00 H ATOM 2909 3HG1 VAL A 178 35.236 −10.732 −7.543 1.00 0.00 H ATOM 2910 1HG2 VAL A 178 34.416 −8.808 −9.936 1.00 0.00 H ATOM 2911 2HG2 VAL A 178 35.790 −9.900 −10.054 1.00 0.00 H ATOM 2912 3HG2 VAL A 178 34.504 −9.958 −11.251 1.00 0.00 H ATOM 2913 N LEU A 179 32.296 −13.379 −9.014 1.00 0.00 N ATOM 2914 CA LEU A 179 31.458 −14.247 −8.189 1.00 0.00 C ATOM 2915 C LEU A 179 31.440 −15.713 −8.598 1.00 0.00 C ATOM 2916 O LEU A 179 30.957 −16.551 −7.848 1.00 0.00 O ATOM 2917 CB LEU A 179 30.010 −13.738 −8.173 1.00 0.00 C ATOM 2918 CG LEU A 179 29.791 −12.307 −7.640 1.00 0.00 C ATOM 2919 CD1 LEU A 179 28.287 −11.999 −7.575 1.00 0.00 C ATOM 2920 CD2 LEU A 179 30.424 −12.075 −6.259 1.00 0.00 C ATOM 2921 H LEU A 179 31.854 −12.868 −9.778 1.00 0.00 H ATOM 2922 HA LEU A 179 31.827 −14.238 −7.161 1.00 0.00 H ATOM 2923 1HB LEU A 179 29.600 −13.799 −9.183 1.00 0.00 H ATOM 2924 2HB LEU A 179 29.405 −14.416 −7.567 1.00 0.00 H ATOM 2925 HG LEU A 179 30.245 −11.604 −8.341 1.00 0.00 H ATOM 2926 1HD1 LEU A 179 28.115 −10.973 −7.249 1.00 0.00 H ATOM 2927 2HD1 LEU A 179 27.806 −12.134 −8.543 1.00 0.00 H ATOM 2928 3HD1 LEU A 179 27.778 −12.652 −6.865 1.00 0.00 H ATOM 2929 1HD2 LEU A 179 30.169 −11.085 −5.886 1.00 0.00 H ATOM 2930 2HD2 LEU A 179 30.062 −12.798 −5.527 1.00 0.00 H ATOM 2931 3HD2 LEU A 179 31.512 −12.135 −6.288 1.00 0.00 H ATOM 2932 N GLY A 180 31.963 −16.030 −9.775 1.00 0.00 N ATOM 2933 CA GLY A 180 31.930 −17.408 −10.224 1.00 0.00 C ATOM 2934 C GLY A 180 30.571 −17.677 −10.846 1.00 0.00 C ATOM 2935 O GLY A 180 29.648 −16.882 −10.689 1.00 0.00 O ATOM 2936 H GLY A 180 32.301 −15.331 −10.429 1.00 0.00 H ATOM 2937 1HA GLY A 180 32.706 −17.523 −10.973 1.00 0.00 H ATOM 2938 2HA GLY A 180 32.138 −18.126 −9.429 1.00 0.00 H ATOM 2939 N THR A 181 30.436 −18.793 −11.554 1.00 0.00 N ATOM 2940 CA THR A 181 29.174 −19.134 −12.207 1.00 0.00 C ATOM 2941 C THR A 181 28.030 −19.316 −11.212 1.00 0.00 C ATOM 2942 O THR A 181 28.186 −19.962 −10.179 1.00 0.00 O ATOM 2943 CB THR A 181 29.329 −20.418 −13.049 1.00 0.00 C ATOM 2944 OG1 THR A 181 28.149 −20.796 −13.741 1.00 0.00 O ATOM 2945 CG2 THR A 181 29.852 −21.648 −12.280 1.00 0.00 C ATOM 2946 H THR A 181 31.236 −19.401 −11.694 1.00 0.00 H ATOM 2947 HA THR A 181 28.977 −18.307 −12.888 1.00 0.00 H ATOM 2948 HB THR A 181 30.056 −20.189 −13.830 1.00 0.00 H ATOM 2949 HG1 THR A 181 27.491 −21.081 −13.118 1.00 0.00 H ATOM 2950 1HG2 THR A 181 30.048 −22.479 −12.953 1.00 0.00 H ATOM 2951 2HG2 THR A 181 30.789 −21.436 −11.765 1.00 0.00 H ATOM 2952 3HG2 THR A 181 29.141 −22.003 −11.534 1.00 0.00 H ATOM 2953 N PRO A 182 26.859 −18.737 −11.509 1.00 0.00 N ATOM 2954 CA PRO A 182 25.715 −18.863 −10.605 1.00 0.00 C ATOM 2955 C PRO A 182 25.081 −20.253 −10.612 1.00 0.00 C ATOM 2956 O PRO A 182 24.840 −20.841 −11.665 1.00 0.00 O ATOM 2957 CB PRO A 182 24.746 −17.799 −11.103 1.00 0.00 C ATOM 2958 CG PRO A 182 25.028 −17.638 −12.585 1.00 0.00 C ATOM 2959 CD PRO A 182 26.520 −17.937 −12.692 1.00 0.00 C ATOM 2960 HA PRO A 182 26.030 −18.601 −9.594 1.00 0.00 H ATOM 2961 1HB PRO A 182 23.704 −18.023 −10.883 1.00 0.00 H ATOM 2962 2HB PRO A 182 24.965 −16.859 −10.597 1.00 0.00 H ATOM 2963 1HG PRO A 182 24.763 −16.652 −12.967 1.00 0.00 H ATOM 2964 2HG PRO A 182 24.464 −18.380 −13.151 1.00 0.00 H ATOM 2965 1HD PRO A 182 27.073 −17.001 −12.642 1.00 0.00 H ATOM 2966 2HD PRO A 182 26.758 −18.439 −13.630 1.00 0.00 H ATOM 2967 N THR A 183 24.813 −20.758 −9.415 1.00 0.00 N ATOM 2968 CA THR A 183 24.192 −22.059 −9.215 1.00 0.00 C ATOM 2969 C THR A 183 22.843 −22.066 −9.913 1.00 0.00 C ATOM 2970 O THR A 183 22.316 −21.011 −10.258 1.00 0.00 O ATOM 2971 CB THR A 183 23.998 −22.305 −7.706 1.00 0.00 C ATOM 2972 OG1 THR A 183 25.208 −22.034 −7.015 1.00 0.00 O ATOM 2973 CG2 THR A 183 23.672 −23.755 −7.322 1.00 0.00 C ATOM 2974 H THR A 183 25.032 −20.197 −8.590 1.00 0.00 H ATOM 2975 HA THR A 183 24.815 −22.835 −9.665 1.00 0.00 H ATOM 2976 HB THR A 183 23.227 −21.646 −7.305 1.00 0.00 H ATOM 2977 HG1 THR A 183 25.358 −21.088 −7.013 1.00 0.00 H ATOM 2978 1HG2 THR A 183 23.603 −23.870 −6.239 1.00 0.00 H ATOM 2979 2HG2 THR A 183 22.720 −24.082 −7.726 1.00 0.00 H ATOM 2980 3HG2 THR A 183 24.436 −24.447 −7.678 1.00 0.00 H ATOM 2981 N ARG A 184 22.284 −23.251 −10.132 1.00 0.00 N ATOM 2982 CA ARG A 184 20.984 −23.344 −10.777 1.00 0.00 C ATOM 2983 C ARG A 184 19.945 −22.693 −9.867 1.00 0.00 C ATOM 2984 O ARG A 184 19.047 −21.995 −10.338 1.00 0.00 O ATOM 2985 CB ARG A 184 20.620 −24.808 −11.038 1.00 0.00 C ATOM 2986 CG ARG A 184 21.564 −25.503 −12.033 1.00 0.00 C ATOM 2987 CD ARG A 184 21.143 −26.948 −12.324 1.00 0.00 C ATOM 2988 NE ARG A 184 22.029 −27.572 −13.317 1.00 0.00 N ATOM 2989 CZ ARG A 184 21.856 −28.769 −13.890 1.00 0.00 C ATOM 2990 NH1 ARG A 184 20.805 −29.527 −13.582 1.00 0.00 N ATOM 2991 NH2 ARG A 184 22.746 −29.203 −14.778 1.00 0.00 N ATOM 2992 H ARG A 184 22.773 −24.093 −9.869 1.00 0.00 H ATOM 2993 HA ARG A 184 21.022 −22.792 −11.719 1.00 0.00 H ATOM 2994 1HB ARG A 184 20.602 −25.364 −10.098 1.00 0.00 H ATOM 2995 2HB ARG A 184 19.603 −24.854 −11.431 1.00 0.00 H ATOM 2996 1HG ARG A 184 21.586 −24.934 −12.964 1.00 0.00 H ATOM 2997 2HG ARG A 184 22.583 −25.496 −11.643 1.00 0.00 H ATOM 2998 1HD ARG A 184 21.159 −27.542 −11.409 1.00 0.00 H ATOM 2999 2HD ARG A 184 20.121 −26.967 −12.705 1.00 0.00 H ATOM 3000 HE ARG A 184 22.849 −27.026 −13.555 1.00 0.00 H ATOM 3001 1HH1 ARG A 184 20.650 −30.433 −14.001 1.00 0.00 H ATOM 3002 2HH1 ARG A 184 20.118 −29.224 −12.910 1.00 0.00 H ATOM 3003 1HH2 ARG A 184 22.656 −30.098 −15.235 1.00 0.00 H ATOM 3004 2HH2 ARG A 184 23.554 −28.656 −15.038 1.00 0.00 H ATOM 3005 N GLU A 185 20.077 −22.919 −8.562 1.00 0.00 N ATOM 3006 CA GLU A 185 19.156 −22.337 −7.586 1.00 0.00 C ATOM 3007 C GLU A 185 19.314 −20.815 −7.566 1.00 0.00 C ATOM 3008 O GLU A 185 18.330 −20.082 −7.491 1.00 0.00 O ATOM 3009 CB GLU A 185 19.426 −22.898 −6.182 1.00 0.00 C ATOM 3010 CG GLU A 185 18.851 −24.313 −5.925 1.00 0.00 C ATOM 3011 CD GLU A 185 19.518 −25.457 −6.685 1.00 0.00 C ATOM 3012 OE1 GLU A 185 20.668 −25.286 −7.135 1.00 0.00 O ATOM 3013 OE2 GLU A 185 18.867 −26.510 −6.820 1.00 0.00 O ATOM 3014 H GLU A 185 20.823 −23.518 −8.248 1.00 0.00 H ATOM 3015 HA GLU A 185 18.135 −22.571 −7.893 1.00 0.00 H ATOM 3016 1HB GLU A 185 20.495 −22.885 −5.964 1.00 0.00 H ATOM 3017 2HB GLU A 185 18.973 −22.237 −5.441 1.00 0.00 H ATOM 3018 1HG GLU A 185 18.939 −24.545 −4.864 1.00 0.00 H ATOM 3019 2HG GLU A 185 17.784 −24.323 −6.149 1.00 0.00 H ATOM 3020 N GLN A 186 20.557 −20.349 −7.634 1.00 0.00 N ATOM 3021 CA GLN A 186 20.839 −18.920 −7.635 1.00 0.00 C ATOM 3022 C GLN A 186 20.196 −18.255 −8.843 1.00 0.00 C ATOM 3023 O GLN A 186 19.614 −17.180 −8.732 1.00 0.00 O ATOM 3024 CB GLN A 186 22.344 −18.689 −7.650 1.00 0.00 C ATOM 3025 CG GLN A 186 22.970 −18.815 −6.245 1.00 0.00 C ATOM 3026 CD GLN A 186 24.492 −18.694 −6.253 1.00 0.00 C ATOM 3027 OE1 GLN A 186 25.156 −19.281 −7.102 1.00 0.00 O ATOM 3028 NE2 GLN A 186 25.070 −17.955 −5.318 1.00 0.00 N ATOM 3029 H GLN A 186 21.309 −20.996 −7.785 1.00 0.00 H ATOM 3030 HA GLN A 186 20.428 −18.450 −6.745 1.00 0.00 H ATOM 3031 1HB GLN A 186 22.827 −19.353 −8.361 1.00 0.00 H ATOM 3032 2HB GLN A 186 22.559 −17.681 −8.010 1.00 0.00 H ATOM 3033 1HG GLN A 186 22.556 −18.046 −5.595 1.00 0.00 H ATOM 3034 2HG GLN A 186 22.711 −19.774 −5.796 1.00 0.00 H ATOM 3035 1HE2 GLN A 186 26.072 −17.856 −5.306 1.00 0.00 H ATOM 3036 2HE2 GLN A 186 24.536 −17.434 −4.631 1.00 0.00 H ATOM 3037 N ILE A 187 20.304 −18.897 −9.999 1.00 0.00 N ATOM 3038 CA ILE A 187 19.706 −18.368 −11.215 1.00 0.00 C ATOM 3039 C ILE A 187 18.194 −18.326 −11.027 1.00 0.00 C ATOM 3040 O ILE A 187 17.523 −17.390 −11.456 1.00 0.00 O ATOM 3041 CB ILE A 187 20.040 −19.259 −12.425 1.00 0.00 C ATOM 3042 CG1 ILE A 187 21.541 −19.154 −12.784 1.00 0.00 C ATOM 3043 CG2 ILE A 187 19.211 −18.944 −13.699 1.00 0.00 C ATOM 3044 CD1 ILE A 187 22.061 −20.284 −13.688 1.00 0.00 C ATOM 3045 H ILE A 187 20.866 −19.741 −10.060 1.00 0.00 H ATOM 3046 HA ILE A 187 20.058 −17.348 −11.389 1.00 0.00 H ATOM 3047 HB ILE A 187 19.832 −20.294 −12.153 1.00 0.00 H ATOM 3048 1HG1 ILE A 187 21.749 −18.188 −13.247 1.00 0.00 H ATOM 3049 2HG1 ILE A 187 22.138 −19.170 −11.879 1.00 0.00 H ATOM 3050 1HG2 ILE A 187 19.518 −19.552 −14.549 1.00 0.00 H ATOM 3051 2HG2 ILE A 187 18.147 −19.145 −13.570 1.00 0.00 H ATOM 3052 3HG2 ILE A 187 19.316 −17.899 −13.992 1.00 0.00 H ATOM 3053 1HD1 ILE A 187 23.141 −20.208 −13.816 1.00 0.00 H ATOM 3054 2HD1 ILE A 187 21.863 −21.261 −13.251 1.00 0.00 H ATOM 3055 3HD1 ILE A 187 21.619 −20.259 −14.683 1.00 0.00 H ATOM 3056 N ARG A 188 17.673 −19.356 −10.372 1.00 0.00 N ATOM 3057 CA ARG A 188 16.248 −19.476 −10.098 1.00 0.00 C ATOM 3058 C ARG A 188 15.818 −18.369 −9.133 1.00 0.00 C ATOM 3059 O ARG A 188 14.718 −17.825 −9.246 1.00 0.00 O ATOM 3060 CB ARG A 188 15.966 −20.858 −9.495 1.00 0.00 C ATOM 3061 CG ARG A 188 14.486 −21.265 −9.439 1.00 0.00 C ATOM 3062 CD ARG A 188 14.276 −22.597 −8.706 1.00 0.00 C ATOM 3063 NE ARG A 188 12.858 −22.981 −8.699 1.00 0.00 N ATOM 3064 CZ ARG A 188 12.350 −24.124 −8.223 1.00 0.00 C ATOM 3065 NH1 ARG A 188 13.141 −25.055 −7.691 1.00 0.00 N ATOM 3066 NH2 ARG A 188 11.038 −24.331 −8.284 1.00 0.00 N ATOM 3067 H ARG A 188 18.289 −20.107 −10.081 1.00 0.00 H ATOM 3068 HA ARG A 188 15.696 −19.363 −11.032 1.00 0.00 H ATOM 3069 1HB ARG A 188 16.497 −21.618 −10.068 1.00 0.00 H ATOM 3070 2HB ARG A 188 16.350 −20.921 −8.482 1.00 0.00 H ATOM 3071 1HG ARG A 188 13.900 −20.489 −8.944 1.00 0.00 H ATOM 3072 2HG ARG A 188 14.107 −21.359 −10.456 1.00 0.00 H ATOM 3073 1HD ARG A 188 14.854 −23.384 −9.191 1.00 0.00 H ATOM 3074 2HD ARG A 188 14.628 −22.524 −7.676 1.00 0.00 H ATOM 3075 HE ARG A 188 12.227 −22.286 −9.080 1.00 0.00 H ATOM 3076 1HH1 ARG A 188 12.781 −25.924 −7.324 1.00 0.00 H ATOM 3077 2HH1 ARG A 188 14.139 −24.924 −7.629 1.00 0.00 H ATOM 3078 1HH2 ARG A 188 10.610 −25.176 −7.936 1.00 0.00 H ATOM 3079 2HH2 ARG A 188 10.406 −23.650 −8.679 1.00 0.00 H ATOM 3080 N GLU A 189 16.697 −18.043 −8.189 1.00 0.00 N ATOM 3081 CA GLU A 189 16.443 −16.996 −7.199 1.00 0.00 C ATOM 3082 C GLU A 189 16.323 −15.623 −7.864 1.00 0.00 C ATOM 3083 O GLU A 189 15.480 −14.808 −7.491 1.00 0.00 O ATOM 3084 CB GLU A 189 17.581 −16.945 −6.176 1.00 0.00 C ATOM 3085 CG GLU A 189 17.473 −18.042 −5.086 1.00 0.00 C ATOM 3086 CD GLU A 189 16.267 −17.912 −4.157 1.00 0.00 C ATOM 3087 OE1 GLU A 189 15.703 −16.804 −4.068 1.00 0.00 O ATOM 3088 OE2 GLU A 189 15.900 −18.935 −3.548 1.00 0.00 O ATOM 3089 H GLU A 189 17.498 −18.655 −8.044 1.00 0.00 H ATOM 3090 HA GLU A 189 15.505 −17.216 −6.684 1.00 0.00 H ATOM 3091 1HB GLU A 189 18.561 −16.983 −6.632 1.00 0.00 H ATOM 3092 2HB GLU A 189 17.560 −15.985 −5.660 1.00 0.00 H ATOM 3093 1HG GLU A 189 17.421 −19.030 −5.532 1.00 0.00 H ATOM 3094 2HG GLU A 189 18.368 −18.037 −4.467 1.00 0.00 H ATOM 3095 N MET A 190 17.180 −15.375 −8.846 1.00 0.00 N ATOM 3096 CA MET A 190 17.181 −14.108 −9.560 1.00 0.00 C ATOM 3097 C MET A 190 15.986 −13.978 −10.487 1.00 0.00 C ATOM 3098 O MET A 190 15.235 −13.008 −10.418 1.00 0.00 O ATOM 3099 CB MET A 190 18.468 −13.974 −10.364 1.00 0.00 C ATOM 3100 CG MET A 190 19.663 −13.724 −9.422 1.00 0.00 C ATOM 3101 SD MET A 190 21.280 −13.518 −10.203 1.00 0.00 S ATOM 3102 CE MET A 190 21.671 −15.183 −10.781 1.00 0.00 C ATOM 3103 H MET A 190 17.856 −16.094 −9.082 1.00 0.00 H ATOM 3104 HA MET A 190 17.137 −13.292 −8.835 1.00 0.00 H ATOM 3105 1HB MET A 190 18.645 −14.868 −10.964 1.00 0.00 H ATOM 3106 2HB MET A 190 18.400 −13.148 −11.068 1.00 0.00 H ATOM 3107 1HG MET A 190 19.481 −12.810 −8.853 1.00 0.00 H ATOM 3108 2HG MET A 190 19.750 −14.520 −8.682 1.00 0.00 H ATOM 3109 1HE MET A 190 22.698 −15.223 −11.145 1.00 0.00 H ATOM 3110 2HE MET A 190 21.567 −15.908 −9.976 1.00 0.00 H ATOM 3111 3HE MET A 190 21.012 −15.443 −11.607 1.00 0.00 H ATOM 3112 N ASN A 191 15.824 −14.960 −11.363 1.00 0.00 N ATOM 3113 CA ASN A 191 14.725 −14.967 −12.317 1.00 0.00 C ATOM 3114 C ASN A 191 14.590 −16.365 −12.888 1.00 0.00 C ATOM 3115 O ASN A 191 15.363 −16.768 −13.761 1.00 0.00 O ATOM 3116 CB ASN A 191 14.992 −13.980 −13.456 1.00 0.00 C ATOM 3117 CG ASN A 191 13.774 −13.827 −14.390 1.00 0.00 C ATOM 3118 OD1 ASN A 191 12.651 −14.184 −14.043 1.00 0.00 O ATOM 3119 ND2 ASN A 191 13.954 −13.368 −15.621 1.00 0.00 N ATOM 3120 H ASN A 191 16.456 −15.759 −11.356 1.00 0.00 H ATOM 3121 HA ASN A 191 13.831 −14.636 −11.791 1.00 0.00 H ATOM 3122 1HB ASN A 191 15.253 −13.004 −13.071 1.00 0.00 H ATOM 3123 2HB ASN A 191 15.856 −14.292 −14.044 1.00 0.00 H ATOM 3124 1HD2 ASN A 191 13.145 −13.238 −16.207 1.00 0.00 H ATOM 3125 2HD2 ASN A 191 14.848 −13.001 −15.953 1.00 0.00 H ATOM 3126 N PRO A 192 13.603 −17.128 −12.398 1.00 0.00 N ATOM 3127 CA PRO A 192 13.382 −18.495 −12.880 1.00 0.00 C ATOM 3128 C PRO A 192 12.685 −18.493 −14.236 1.00 0.00 C ATOM 3129 O PRO A 192 11.578 −19.013 −14.372 1.00 0.00 O ATOM 3130 CB PRO A 192 12.516 −19.116 −11.791 1.00 0.00 C ATOM 3131 CG PRO A 192 11.660 −17.967 −11.276 1.00 0.00 C ATOM 3132 CD PRO A 192 12.577 −16.749 −11.414 1.00 0.00 C ATOM 3133 HA PRO A 192 14.319 −19.047 −12.971 1.00 0.00 H ATOM 3134 1HB PRO A 192 11.935 −19.986 −12.101 1.00 0.00 H ATOM 3135 2HB PRO A 192 13.160 −19.435 −10.978 1.00 0.00 H ATOM 3136 1HG PRO A 192 11.315 −18.118 −10.253 1.00 0.00 H ATOM 3137 2HG PRO A 192 10.781 −17.845 −11.911 1.00 0.00 H ATOM 3138 1HD PRO A 192 13.033 −16.485 −10.461 1.00 0.00 H ATOM 3139 2HD PRO A 192 11.998 −15.888 −11.753 1.00 0.00 H ATOM 3140 N ASN A 193 13.340 −17.908 −15.237 1.00 0.00 N ATOM 3141 CA ASN A 193 12.760 −17.828 −16.570 1.00 0.00 C ATOM 3142 C ASN A 193 13.780 −17.879 −17.701 1.00 0.00 C ATOM 3143 O ASN A 193 13.772 −18.814 −18.501 1.00 0.00 O ATOM 3144 CB ASN A 193 11.929 −16.546 −16.701 1.00 0.00 C ATOM 3145 CG ASN A 193 10.576 −16.521 −15.990 1.00 0.00 C ATOM 3146 OD1 ASN A 193 9.639 −17.195 −16.408 1.00 0.00 O ATOM 3147 ND2 ASN A 193 10.447 −15.735 −14.926 1.00 0.00 N ATOM 3148 H ASN A 193 14.269 −17.530 −15.066 1.00 0.00 H ATOM 3149 HA ASN A 193 12.099 −18.681 −16.743 1.00 0.00 H ATOM 3150 1HB ASN A 193 12.516 −15.683 −16.389 1.00 0.00 H ATOM 3151 2HB ASN A 193 11.700 −16.369 −17.754 1.00 0.00 H ATOM 3152 1HD2 ASN A 193 9.567 −15.698 −14.437 1.00 0.00 H ATOM 3153 2HD2 ASN A 193 11.229 −15.167 −14.592 1.00 0.00 H ATOM 3154 N TYR A 194 14.654 −16.874 −17.766 1.00 0.00 N ATOM 3155 CA TYR A 194 15.656 −16.786 −18.831 1.00 0.00 C ATOM 3156 C TYR A 194 16.249 −18.109 −19.283 1.00 0.00 C ATOM 3157 O TYR A 194 16.817 −18.865 −18.490 1.00 0.00 O ATOM 3158 CB TYR A 194 16.768 −15.819 −18.439 1.00 0.00 C ATOM 3159 CG TYR A 194 17.758 −15.365 −19.496 1.00 0.00 C ATOM 3160 CD1 TYR A 194 17.333 −14.557 −20.571 1.00 0.00 C ATOM 3161 CD2 TYR A 194 19.126 −15.679 −19.357 1.00 0.00 C ATOM 3162 CE1 TYR A 194 18.273 −14.060 −21.495 1.00 0.00 C ATOM 3163 CE2 TYR A 194 20.068 −15.156 −20.261 1.00 0.00 C ATOM 3164 CZ TYR A 194 19.641 −14.353 −21.337 1.00 0.00 C ATOM 3165 OH TYR A 194 20.546 −13.861 −22.230 1.00 0.00 O ATOM 3166 H TYR A 194 14.621 −16.132 −17.079 1.00 0.00 H ATOM 3167 HA TYR A 194 15.127 −16.390 −19.701 1.00 0.00 H ATOM 3168 1HB TYR A 194 16.315 −14.906 −18.050 1.00 0.00 H ATOM 3169 2HB TYR A 194 17.321 −16.236 −17.595 1.00 0.00 H ATOM 3170 HD1 TYR A 194 16.290 −14.299 −20.683 1.00 0.00 H ATOM 3171 HD2 TYR A 194 19.468 −16.302 −18.542 1.00 0.00 H ATOM 3172 HE1 TYR A 194 17.944 −13.441 −22.317 1.00 0.00 H ATOM 3173 HE2 TYR A 194 21.113 −15.398 −20.129 1.00 0.00 H ATOM 3174 HH TYR A 194 21.437 −14.123 −22.041 1.00 0.00 H ATOM 3175 N THR A 195 16.114 −18.356 −20.584 1.00 0.00 N ATOM 3176 CA THR A 195 16.568 −19.581 −21.227 1.00 0.00 C ATOM 3177 C THR A 195 18.072 −19.847 −21.241 1.00 0.00 C ATOM 3178 O THR A 195 18.524 −20.861 −20.707 1.00 0.00 O ATOM 3179 CB THR A 195 16.051 −19.638 −22.674 1.00 0.00 C ATOM 3180 OG1 THR A 195 16.311 −18.417 −23.357 1.00 0.00 O ATOM 3181 CG2 THR A 195 14.535 −19.880 −22.738 1.00 0.00 C ATOM 3182 H THR A 195 15.562 −17.759 −21.188 1.00 0.00 H ATOM 3183 HA THR A 195 16.111 −20.391 −20.653 1.00 0.00 H ATOM 3184 HB THR A 195 16.543 −20.449 −23.217 1.00 0.00 H ATOM 3185 HG1 THR A 195 16.059 −18.528 −24.267 1.00 0.00 H ATOM 3186 1HG2 THR A 195 14.186 −19.946 −23.769 1.00 0.00 H ATOM 3187 2HG2 THR A 195 14.270 −20.817 −22.247 1.00 0.00 H ATOM 3188 3HG2 THR A 195 13.976 −19.084 −22.247 1.00 0.00 H ATOM 3189 N GLU A 196 18.844 −18.957 −21.860 1.00 0.00 N ATOM 3190 CA GLU A 196 20.292 −19.144 −21.936 1.00 0.00 C ATOM 3191 C GLU A 196 20.877 −19.537 −20.592 1.00 0.00 C ATOM 3192 O GLU A 196 20.788 −18.789 −19.616 1.00 0.00 O ATOM 3193 CB GLU A 196 20.987 −17.871 −22.429 1.00 0.00 C ATOM 3194 CG GLU A 196 21.023 −17.734 −23.967 1.00 0.00 C ATOM 3195 CD GLU A 196 21.960 −18.721 −24.658 1.00 0.00 C ATOM 3196 OE1 GLU A 196 22.611 −19.546 −23.979 1.00 0.00 O ATOM 3197 OE2 GLU A 196 22.054 −18.693 −25.901 1.00 0.00 O ATOM 3198 H GLU A 196 18.433 −18.113 −22.227 1.00 0.00 H ATOM 3199 HA GLU A 196 20.456 −19.941 −22.664 1.00 0.00 H ATOM 3200 1HB GLU A 196 20.490 −17.002 −22.011 1.00 0.00 H ATOM 3201 2HB GLU A 196 22.016 −17.822 −22.064 1.00 0.00 H ATOM 3202 1HG GLU A 196 20.021 −17.850 −24.381 1.00 0.00 H ATOM 3203 2HG GLU A 196 21.354 −16.730 −24.231 1.00 0.00 H ATOM 3204 N PHE A 197 21.468 −20.723 −20.549 1.00 0.00 N ATOM 3205 CA PHE A 197 22.087 −21.230 −19.335 1.00 0.00 C ATOM 3206 C PHE A 197 23.533 −21.564 −19.678 1.00 0.00 C ATOM 3207 O PHE A 197 24.273 −22.116 −18.861 1.00 0.00 O ATOM 3208 CB PHE A 197 21.346 −22.479 −18.842 1.00 0.00 C ATOM 3209 CG PHE A 197 21.347 −23.690 −19.774 1.00 0.00 C ATOM 3210 CD1 PHE A 197 22.332 −24.693 −19.635 1.00 0.00 C ATOM 3211 CD2 PHE A 197 20.370 −23.817 −20.784 1.00 0.00 C ATOM 3212 CE1 PHE A 197 22.351 −25.798 −20.509 1.00 0.00 C ATOM 3213 CE2 PHE A 197 20.387 −24.922 −21.657 1.00 0.00 C ATOM 3214 CZ PHE A 197 21.380 −25.911 −21.522 1.00 0.00 C ATOM 3215 H PHE A 197 21.406 −21.336 −21.347 1.00 0.00 H ATOM 3216 HA PHE A 197 22.192 −20.490 −18.540 1.00 0.00 H ATOM 3217 1HB PHE A 197 21.766 −22.786 −17.883 1.00 0.00 H ATOM 3218 2HB PHE A 197 20.311 −22.213 −18.625 1.00 0.00 H ATOM 3219 HD1 PHE A 197 23.087 −24.612 −18.865 1.00 0.00 H ATOM 3220 HD2 PHE A 197 19.601 −23.067 −20.896 1.00 0.00 H ATOM 3221 HE1 PHE A 197 23.112 −26.557 −20.402 1.00 0.00 H ATOM 3222 HE2 PHE A 197 19.638 −25.010 −22.431 1.00 0.00 H ATOM 3223 HZ PHE A 197 21.394 −26.759 −22.193 1.00 0.00 H ATOM 3224 N LYS A 198 23.921 −21.213 −20.902 1.00 0.00 N ATOM 3225 CA LYS A 198 25.271 −21.453 −21.395 1.00 0.00 C ATOM 3226 C LYS A 198 26.194 −20.322 −20.962 1.00 0.00 C ATOM 3227 O LYS A 198 26.215 −19.255 −21.574 1.00 0.00 O ATOM 3228 CB LYS A 198 25.257 −21.565 −22.926 1.00 0.00 C ATOM 3229 CG LYS A 198 24.413 −22.751 −23.442 1.00 0.00 C ATOM 3230 CD LYS A 198 24.563 −23.027 −24.951 1.00 0.00 C ATOM 3231 CE LYS A 198 23.620 −22.222 −25.866 1.00 0.00 C ATOM 3232 NZ LYS A 198 23.920 −20.787 −25.863 1.00 0.00 N ATOM 3233 H LYS A 198 23.290 −20.654 −21.454 1.00 0.00 H ATOM 3234 HA LYS A 198 25.662 −22.394 −21.000 1.00 0.00 H ATOM 3235 1HB LYS A 198 24.897 −20.632 −23.357 1.00 0.00 H ATOM 3236 2HB LYS A 198 26.284 −21.681 −23.277 1.00 0.00 H ATOM 3237 1HG LYS A 198 24.729 −23.646 −22.904 1.00 0.00 H ATOM 3238 2HG LYS A 198 23.361 −22.614 −23.188 1.00 0.00 H ATOM 3239 1HD LYS A 198 25.601 −22.905 −25.264 1.00 0.00 H ATOM 3240 2HD LYS A 198 24.337 −24.081 −25.116 1.00 0.00 H ATOM 3241 1HE LYS A 198 23.715 −22.583 −26.890 1.00 0.00 H ATOM 3242 2HE LYS A 198 22.579 −22.364 −25.576 1.00 0.00 H ATOM 3243 1HZ LYS A 198 23.393 −20.298 −26.572 1.00 0.00 H ATOM 3244 2HZ LYS A 198 23.542 −20.355 −25.004 1.00 0.00 H ATOM 3245 3HZ LYS A 198 24.896 −20.583 −25.951 1.00 0.00 H ATOM 3246 N PHE A 199 26.948 −20.557 −19.894 1.00 0.00 N ATOM 3247 CA PHE A 199 27.875 −19.556 −19.391 1.00 0.00 C ATOM 3248 C PHE A 199 29.100 −20.203 −18.774 1.00 0.00 C ATOM 3249 O PHE A 199 28.994 −20.983 −17.827 1.00 0.00 O ATOM 3250 CB PHE A 199 27.190 −18.653 −18.364 1.00 0.00 C ATOM 3251 CG PHE A 199 26.191 −17.614 −18.850 1.00 0.00 C ATOM 3252 CD1 PHE A 199 26.640 −16.349 −19.286 1.00 0.00 C ATOM 3253 CD2 PHE A 199 24.806 −17.886 −18.813 1.00 0.00 C ATOM 3254 CE1 PHE A 199 25.713 −15.363 −19.677 1.00 0.00 C ATOM 3255 CE2 PHE A 199 23.879 −16.903 −19.210 1.00 0.00 C ATOM 3256 CZ PHE A 199 24.332 −15.639 −19.638 1.00 0.00 C ATOM 3257 H PHE A 199 26.874 −21.433 −19.395 1.00 0.00 H ATOM 3258 HA PHE A 199 28.096 −18.944 −20.246 1.00 0.00 H ATOM 3259 1HB PHE A 199 26.708 −19.269 −17.603 1.00 0.00 H ATOM 3260 2HB PHE A 199 27.955 −18.099 −17.818 1.00 0.00 H ATOM 3261 HD1 PHE A 199 27.697 −16.122 −19.308 1.00 0.00 H ATOM 3262 HD2 PHE A 199 24.450 −18.848 −18.473 1.00 0.00 H ATOM 3263 HE1 PHE A 199 26.061 −14.392 −19.999 1.00 0.00 H ATOM 3264 HE2 PHE A 199 22.820 −17.118 −19.177 1.00 0.00 H ATOM 3265 HZ PHE A 199 23.622 −14.880 −19.933 1.00 0.00 H ATOM 3266 N PRO A 200 30.284 −19.885 −19.316 1.00 0.00 N ATOM 3267 CA PRO A 200 31.572 −20.410 −18.853 1.00 0.00 C ATOM 3268 C PRO A 200 31.635 −20.619 −17.345 1.00 0.00 C ATOM 3269 O PRO A 200 31.454 −19.679 −16.570 1.00 0.00 O ATOM 3270 CB PRO A 200 32.587 −19.366 −19.330 1.00 0.00 C ATOM 3271 CG PRO A 200 32.021 −18.898 −20.654 1.00 0.00 C ATOM 3272 CD PRO A 200 30.516 −18.918 −20.403 1.00 0.00 C ATOM 3273 HA PRO A 200 31.742 −21.356 −19.371 1.00 0.00 H ATOM 3274 1HB PRO A 200 32.642 −18.524 −18.637 1.00 0.00 H ATOM 3275 2HB PRO A 200 33.592 −19.778 −19.427 1.00 0.00 H ATOM 3276 1HG PRO A 200 32.279 −19.611 −21.438 1.00 0.00 H ATOM 3277 2HG PRO A 200 32.390 −17.917 −20.956 1.00 0.00 H ATOM 3278 1HD PRO A 200 29.989 −19.191 −21.319 1.00 0.00 H ATOM 3279 2HD PRO A 200 30.179 −17.928 −20.088 1.00 0.00 H ATOM 3280 N GLN A 201 31.889 −21.859 −16.938 1.00 0.00 N ATOM 3281 CA GLN A 201 31.986 −22.188 −15.525 1.00 0.00 C ATOM 3282 C GLN A 201 33.292 −21.645 −14.969 1.00 0.00 C ATOM 3283 O GLN A 201 34.343 −22.266 −15.119 1.00 0.00 O ATOM 3284 CB GLN A 201 31.934 −23.705 −15.315 1.00 0.00 C ATOM 3285 CG GLN A 201 30.697 −24.394 −15.950 1.00 0.00 C ATOM 3286 CD GLN A 201 29.386 −24.022 −15.261 1.00 0.00 C ATOM 3287 OE1 GLN A 201 29.043 −24.597 −14.233 1.00 0.00 O ATOM 3288 NE2 GLN A 201 28.660 −23.045 −15.788 1.00 0.00 N ATOM 3289 H GLN A 201 32.007 −22.593 −17.617 1.00 0.00 H ATOM 3290 HA GLN A 201 31.058 −21.945 −15.081 1.00 0.00 H ATOM 3291 1HB GLN A 201 32.822 −24.177 −15.738 1.00 0.00 H ATOM 3292 2HB GLN A 201 31.962 −23.929 −14.247 1.00 0.00 H ATOM 3293 1HG GLN A 201 30.629 −24.190 −17.019 1.00 0.00 H ATOM 3294 2HG GLN A 201 30.814 −25.475 −15.867 1.00 0.00 H ATOM 3295 1HE2 GLN A 201 27.872 −22.692 −15.265 1.00 0.00 H ATOM 3296 2HE2 GLN A 201 28.970 −22.507 −16.593 1.00 0.00 H ATOM 3297 N ILE A 202 33.228 −20.476 −14.341 1.00 0.00 N ATOM 3298 CA ILE A 202 34.414 −19.870 −13.758 1.00 0.00 C ATOM 3299 C ILE A 202 34.327 −19.987 −12.248 1.00 0.00 C ATOM 3300 O ILE A 202 33.264 −19.788 −11.662 1.00 0.00 O ATOM 3301 CB ILE A 202 34.540 −18.379 −14.148 1.00 0.00 C ATOM 3302 CG1 ILE A 202 34.397 −18.163 −15.678 1.00 0.00 C ATOM 3303 CG2 ILE A 202 35.882 −17.763 −13.682 1.00 0.00 C ATOM 3304 CD1 ILE A 202 34.660 −16.736 −16.190 1.00 0.00 C ATOM 3305 H ILE A 202 32.313 −20.054 −14.206 1.00 0.00 H ATOM 3306 HA ILE A 202 35.329 −20.384 −14.059 1.00 0.00 H ATOM 3307 HB ILE A 202 33.739 −17.820 −13.659 1.00 0.00 H ATOM 3308 1HG1 ILE A 202 35.041 −18.860 −16.215 1.00 0.00 H ATOM 3309 2HG1 ILE A 202 33.382 −18.408 −15.968 1.00 0.00 H ATOM 3310 1HG2 ILE A 202 35.934 −16.695 −13.882 1.00 0.00 H ATOM 3311 2HG2 ILE A 202 36.035 −17.854 −12.612 1.00 0.00 H ATOM 3312 3HG2 ILE A 202 36.730 −18.236 −14.177 1.00 0.00 H ATOM 3313 1HD1 ILE A 202 34.347 −16.638 −17.230 1.00 0.00 H ATOM 3314 2HD1 ILE A 202 34.113 −15.992 −15.612 1.00 0.00 H ATOM 3315 3HD1 ILE A 202 35.719 −16.480 −16.151 1.00 0.00 H ATOM 3316 N LYS A 203 35.446 −20.326 −11.624 1.00 0.00 N ATOM 3317 CA LYS A 203 35.491 −20.455 −10.179 1.00 0.00 C ATOM 3318 C LYS A 203 35.466 −19.053 −9.587 1.00 0.00 C ATOM 3319 O LYS A 203 35.975 −18.106 −10.190 1.00 0.00 O ATOM 3320 CB LYS A 203 36.766 −21.191 −9.749 1.00 0.00 C ATOM 3321 CG LYS A 203 36.854 −21.530 −8.247 1.00 0.00 C ATOM 3322 CD LYS A 203 38.108 −22.346 −7.899 1.00 0.00 C ATOM 3323 CE LYS A 203 38.214 −22.639 −6.394 1.00 0.00 C ATOM 3324 NZ LYS A 203 39.420 −23.416 −6.079 1.00 0.00 N ATOM 3325 H LYS A 203 36.296 −20.439 −12.143 1.00 0.00 H ATOM 3326 HA LYS A 203 34.622 −21.020 −9.833 1.00 0.00 H ATOM 3327 1HB LYS A 203 36.832 −22.122 −10.313 1.00 0.00 H ATOM 3328 2HB LYS A 203 37.641 −20.605 −10.037 1.00 0.00 H ATOM 3329 1HG LYS A 203 36.866 −20.612 −7.658 1.00 0.00 H ATOM 3330 2HG LYS A 203 35.964 −22.083 −7.944 1.00 0.00 H ATOM 3331 1HD LYS A 203 38.096 −23.283 −8.457 1.00 0.00 H ATOM 3332 2HD LYS A 203 38.993 −21.800 −8.227 1.00 0.00 H ATOM 3333 1HE LYS A 203 38.242 −21.708 −5.827 1.00 0.00 H ATOM 3334 2HE LYS A 203 37.341 −23.196 −6.053 1.00 0.00 H ATOM 3335 1HZ LYS A 203 39.463 −23.592 −5.091 1.00 0.00 H ATOM 3336 2HZ LYS A 203 39.402 −24.295 −6.561 1.00 0.00 H ATOM 3337 3HZ LYS A 203 40.241 −22.908 −6.351 1.00 0.00 H ATOM 3338 N ALA A 204 34.859 −18.918 −8.414 1.00 0.00 N ATOM 3339 CA ALA A 204 34.783 −17.625 −7.757 1.00 0.00 C ATOM 3340 C ALA A 204 36.187 −17.057 −7.625 1.00 0.00 C ATOM 3341 O ALA A 204 37.121 −17.768 −7.255 1.00 0.00 O ATOM 3342 CB ALA A 204 34.146 −17.771 −6.384 1.00 0.00 C ATOM 3343 H ALA A 204 34.484 −19.728 −7.948 1.00 0.00 H ATOM 3344 HA ALA A 204 34.178 −16.955 −8.369 1.00 0.00 H ATOM 3345 1HB ALA A 204 34.082 −16.804 −5.882 1.00 0.00 H ATOM 3346 2HB ALA A 204 33.130 −18.159 −6.464 1.00 0.00 H ATOM 3347 3HB ALA A 204 34.716 −18.443 −5.741 1.00 0.00 H ATOM 3348 N HIS A 205 36.335 −15.778 −7.946 1.00 0.00 N ATOM 3349 CA HIS A 205 37.627 −15.117 −7.843 1.00 0.00 C ATOM 3350 C HIS A 205 37.785 −14.566 −6.423 1.00 0.00 C ATOM 3351 O HIS A 205 37.006 −13.714 −5.989 1.00 0.00 O ATOM 3352 CB HIS A 205 37.711 −13.982 −8.863 1.00 0.00 C ATOM 3353 CG HIS A 205 39.045 −13.287 −8.992 1.00 0.00 C ATOM 3354 ND1 HIS A 205 39.485 −12.315 −8.111 1.00 0.00 N ATOM 3355 CD2 HIS A 205 40.044 −13.409 −9.932 1.00 0.00 C ATOM 3356 CE1 HIS A 205 40.635 −11.841 −8.585 1.00 0.00 C ATOM 3357 NE2 HIS A 205 41.061 −12.488 −9.665 1.00 0.00 N ATOM 3358 H HIS A 205 35.516 −15.198 −8.120 1.00 0.00 H ATOM 3359 HA HIS A 205 38.363 −15.850 −8.153 1.00 0.00 H ATOM 3360 1HB HIS A 205 37.535 −14.423 −9.834 1.00 0.00 H ATOM 3361 2HB HIS A 205 36.971 −13.231 −8.635 1.00 0.00 H ATOM 3362 HD1 HIS A 205 39.003 −11.977 −7.283 1.00 0.00 H ATOM 3363 HD2 HIS A 205 40.088 −14.063 −10.793 1.00 0.00 H ATOM 3364 HE1 HIS A 205 41.174 −11.024 −8.133 1.00 0.00 H ATOM 3365 N PRO A 206 38.795 −15.051 −5.680 1.00 0.00 N ATOM 3366 CA PRO A 206 39.032 −14.594 −4.305 1.00 0.00 C ATOM 3367 C PRO A 206 38.888 −13.080 −4.172 1.00 0.00 C ATOM 3368 O PRO A 206 39.703 −12.317 −4.695 1.00 0.00 O ATOM 3369 CB PRO A 206 40.457 −15.073 −3.997 1.00 0.00 C ATOM 3370 CG PRO A 206 40.650 −16.310 −4.852 1.00 0.00 C ATOM 3371 CD PRO A 206 39.801 −16.037 −6.090 1.00 0.00 C ATOM 3372 HA PRO A 206 38.321 −15.096 −3.646 1.00 0.00 H ATOM 3373 1HB PRO A 206 41.201 −14.328 −4.287 1.00 0.00 H ATOM 3374 2HB PRO A 206 40.604 −15.272 −2.935 1.00 0.00 H ATOM 3375 1HG PRO A 206 40.258 −17.181 −4.324 1.00 0.00 H ATOM 3376 2HG PRO A 206 41.697 −16.508 −5.088 1.00 0.00 H ATOM 3377 1HD PRO A 206 39.364 −16.965 −6.457 1.00 0.00 H ATOM 3378 2HD PRO A 206 40.416 −15.609 −6.884 1.00 0.00 H ATOM 3379 N TRP A 207 37.840 −12.661 −3.469 1.00 0.00 N ATOM 3380 CA TRP A 207 37.551 −11.249 −3.264 1.00 0.00 C ATOM 3381 C TRP A 207 38.782 −10.447 −2.843 1.00 0.00 C ATOM 3382 O TRP A 207 38.872 −9.249 −3.117 1.00 0.00 O ATOM 3383 CB TRP A 207 36.445 −11.091 −2.217 1.00 0.00 C ATOM 3384 CG TRP A 207 35.077 −10.955 −2.805 1.00 0.00 C ATOM 3385 CD1 TRP A 207 34.055 −11.827 −2.671 1.00 0.00 C ATOM 3386 CD2 TRP A 207 34.573 −9.870 −3.637 1.00 0.00 C ATOM 3387 NE1 TRP A 207 32.947 −11.338 −3.334 1.00 0.00 N ATOM 3388 CE3 TRP A 207 35.138 −8.684 −4.159 1.00 0.00 C ATOM 3389 CE2 TRP A 207 33.209 −10.137 −3.959 1.00 0.00 C ATOM 3390 CZ3 TRP A 207 34.385 −7.807 −4.961 1.00 0.00 C ATOM 3391 CZ2 TRP A 207 32.444 −9.267 −4.754 1.00 0.00 C ATOM 3392 CH2 TRP A 207 33.044 −8.104 −5.268 1.00 0.00 C ATOM 3393 H TRP A 207 37.160 −13.336 −3.156 1.00 0.00 H ATOM 3394 HA TRP A 207 37.216 −10.833 −4.215 1.00 0.00 H ATOM 3395 1HB TRP A 207 36.466 −11.899 −1.485 1.00 0.00 H ATOM 3396 2HB TRP A 207 36.583 −10.176 −1.651 1.00 0.00 H ATOM 3397 HD1 TRP A 207 34.104 −12.749 −2.110 1.00 0.00 H ATOM 3398 HE1 TRP A 207 32.056 −11.821 −3.328 1.00 0.00 H ATOM 3399 HE3 TRP A 207 36.172 −8.455 −3.947 1.00 0.00 H ATOM 3400 HZ3 TRP A 207 34.842 −6.907 −5.347 1.00 0.00 H ATOM 3401 HZ2 TRP A 207 31.414 −9.491 −4.980 1.00 0.00 H ATOM 3402 HH2 TRP A 207 32.481 −7.443 −5.908 1.00 0.00 H ATOM 3403 N THR A 208 39.731 −11.108 −2.185 1.00 0.00 N ATOM 3404 CA THR A 208 40.946 −10.435 −1.737 1.00 0.00 C ATOM 3405 C THR A 208 41.849 −10.043 −2.906 1.00 0.00 C ATOM 3406 O THR A 208 42.491 −8.990 −2.871 1.00 0.00 O ATOM 3407 CB THR A 208 41.748 −11.316 −0.758 1.00 0.00 C ATOM 3408 OG1 THR A 208 41.886 −12.636 −1.267 1.00 0.00 O ATOM 3409 CG2 THR A 208 41.062 −11.419 0.612 1.00 0.00 C ATOM 3410 H THR A 208 39.584 −12.070 −1.927 1.00 0.00 H ATOM 3411 HA THR A 208 40.667 −9.521 −1.218 1.00 0.00 H ATOM 3412 HB THR A 208 42.745 −10.893 −0.610 1.00 0.00 H ATOM 3413 HG1 THR A 208 42.465 −13.118 −0.688 1.00 0.00 H ATOM 3414 1HG2 THR A 208 41.648 −12.022 1.306 1.00 0.00 H ATOM 3415 2HG2 THR A 208 40.940 −10.433 1.062 1.00 0.00 H ATOM 3416 3HG2 THR A 208 40.072 −11.868 0.534 1.00 0.00 H ATOM 3417 N LYS A 209 41.894 −10.885 −3.936 1.00 0.00 N ATOM 3418 CA LYS A 209 42.721 −10.604 −5.108 1.00 0.00 C ATOM 3419 C LYS A 209 42.057 −9.573 −6.022 1.00 0.00 C ATOM 3420 O LYS A 209 42.677 −9.070 −6.958 1.00 0.00 O ATOM 3421 CB LYS A 209 42.992 −11.895 −5.896 1.00 0.00 C ATOM 3422 CG LYS A 209 43.934 −11.856 −7.118 1.00 0.00 C ATOM 3423 CD LYS A 209 44.026 −13.238 −7.793 1.00 0.00 C ATOM 3424 CE LYS A 209 44.674 −13.220 −9.187 1.00 0.00 C ATOM 3425 NZ LYS A 209 43.871 −12.453 −10.153 1.00 0.00 N ATOM 3426 H LYS A 209 41.191 −11.618 −4.008 1.00 0.00 H ATOM 3427 HA LYS A 209 43.680 −10.191 −4.788 1.00 0.00 H ATOM 3428 1HB LYS A 209 43.402 −12.624 −5.195 1.00 0.00 H ATOM 3429 2HB LYS A 209 42.033 −12.316 −6.201 1.00 0.00 H ATOM 3430 1HG LYS A 209 43.571 −11.140 −7.850 1.00 0.00 H ATOM 3431 2HG LYS A 209 44.926 −11.514 −6.820 1.00 0.00 H ATOM 3432 1HD LYS A 209 44.590 −13.912 −7.146 1.00 0.00 H ATOM 3433 2HD LYS A 209 43.031 −13.679 −7.876 1.00 0.00 H ATOM 3434 1HE LYS A 209 45.682 −12.808 −9.145 1.00 0.00 H ATOM 3435 2HE LYS A 209 44.763 −14.242 −9.556 1.00 0.00 H ATOM 3436 1HZ LYS A 209 44.189 −12.625 −11.090 1.00 0.00 H ATOM 3437 2HZ LYS A 209 42.888 −12.702 −10.080 1.00 0.00 H ATOM 3438 3HZ LYS A 209 43.948 −11.471 −9.957 1.00 0.00 H ATOM 3439 N VAL A 210 40.797 −9.255 −5.741 1.00 0.00 N ATOM 3440 CA VAL A 210 40.054 −8.285 −6.538 1.00 0.00 C ATOM 3441 C VAL A 210 40.530 −6.856 −6.286 1.00 0.00 C ATOM 3442 O VAL A 210 40.646 −6.061 −7.217 1.00 0.00 O ATOM 3443 CB VAL A 210 38.541 −8.358 −6.235 1.00 0.00 C ATOM 3444 CG1 VAL A 210 37.685 −7.314 −6.990 1.00 0.00 C ATOM 3445 CG2 VAL A 210 37.978 −9.749 −6.573 1.00 0.00 C ATOM 3446 H VAL A 210 40.334 −9.702 −4.963 1.00 0.00 H ATOM 3447 HA VAL A 210 40.211 −8.501 −7.598 1.00 0.00 H ATOM 3448 HB VAL A 210 38.377 −8.160 −5.179 1.00 0.00 H ATOM 3449 1HG1 VAL A 210 36.620 −7.502 −6.854 1.00 0.00 H ATOM 3450 2HG1 VAL A 210 37.865 −6.299 −6.633 1.00 0.00 H ATOM 3451 3HG1 VAL A 210 37.885 −7.332 −8.062 1.00 0.00 H ATOM 3452 1HG2 VAL A 210 36.932 −9.825 −6.277 1.00 0.00 H ATOM 3453 2HG2 VAL A 210 38.028 −9.944 −7.645 1.00 0.00 H ATOM 3454 3HG2 VAL A 210 38.515 −10.542 −6.062 1.00 0.00 H ATOM 3455 N PHE A 211 40.812 −6.537 −5.026 1.00 0.00 N ATOM 3456 CA PHE A 211 41.255 −5.194 −4.665 1.00 0.00 C ATOM 3457 C PHE A 211 42.758 −5.098 −4.395 1.00 0.00 C ATOM 3458 O PHE A 211 43.434 −6.116 −4.241 1.00 0.00 O ATOM 3459 CB PHE A 211 40.490 −4.719 −3.426 1.00 0.00 C ATOM 3460 CG PHE A 211 38.976 −4.758 −3.504 1.00 0.00 C ATOM 3461 CD1 PHE A 211 38.276 −3.695 −4.107 1.00 0.00 C ATOM 3462 CD2 PHE A 211 38.260 −5.835 −2.940 1.00 0.00 C ATOM 3463 CE1 PHE A 211 36.871 −3.716 −4.161 1.00 0.00 C ATOM 3464 CE2 PHE A 211 36.852 −5.840 −2.970 1.00 0.00 C ATOM 3465 CZ PHE A 211 36.159 −4.785 −3.590 1.00 0.00 C ATOM 3466 H PHE A 211 40.791 −7.254 −4.316 1.00 0.00 H ATOM 3467 HA PHE A 211 41.028 −4.481 −5.460 1.00 0.00 H ATOM 3468 1HB PHE A 211 40.808 −5.287 −2.549 1.00 0.00 H ATOM 3469 2HB PHE A 211 40.755 −3.684 −3.221 1.00 0.00 H ATOM 3470 HD1 PHE A 211 38.814 −2.859 −4.529 1.00 0.00 H ATOM 3471 HD2 PHE A 211 38.784 −6.657 −2.473 1.00 0.00 H ATOM 3472 HE1 PHE A 211 36.339 −2.908 −4.636 1.00 0.00 H ATOM 3473 HE2 PHE A 211 36.303 −6.653 −2.522 1.00 0.00 H ATOM 3474 HZ PHE A 211 35.080 −4.792 −3.629 1.00 0.00 H ATOM 3475 N LYS A 212 43.269 −3.869 −4.342 1.00 0.00 N ATOM 3476 CA LYS A 212 44.684 −3.630 −4.064 1.00 0.00 C ATOM 3477 C LYS A 212 45.019 −4.225 −2.690 1.00 0.00 C ATOM 3478 O LYS A 212 44.139 −4.391 −1.842 1.00 0.00 O ATOM 3479 CB LYS A 212 44.982 −2.128 −4.082 1.00 0.00 C ATOM 3480 CG LYS A 212 44.421 −1.348 −5.291 1.00 0.00 C ATOM 3481 CD LYS A 212 44.516 0.179 −5.103 1.00 0.00 C ATOM 3482 CE LYS A 212 43.797 0.977 −6.204 1.00 0.00 C ATOM 3483 NZ LYS A 212 42.339 0.781 −6.154 1.00 0.00 N ATOM 3484 H LYS A 212 42.658 −3.074 −4.439 1.00 0.00 H ATOM 3485 HA LYS A 212 45.276 −4.131 −4.833 1.00 0.00 H ATOM 3486 1HB LYS A 212 44.569 −1.686 −3.173 1.00 0.00 H ATOM 3487 2HB LYS A 212 46.060 −1.971 −4.018 1.00 0.00 H ATOM 3488 1HG LYS A 212 44.945 −1.650 −6.199 1.00 0.00 H ATOM 3489 2HG LYS A 212 43.376 −1.607 −5.448 1.00 0.00 H ATOM 3490 1HD LYS A 212 44.114 0.466 −4.130 1.00 0.00 H ATOM 3491 2HD LYS A 212 45.569 0.467 −5.085 1.00 0.00 H ATOM 3492 1HE LYS A 212 44.012 2.041 −6.102 1.00 0.00 H ATOM 3493 2HE LYS A 212 44.164 0.678 −7.187 1.00 0.00 H ATOM 3494 1HZ LYS A 212 41.892 1.224 −6.953 1.00 0.00 H ATOM 3495 2HZ LYS A 212 42.134 −0.202 −6.208 1.00 0.00 H ATOM 3496 3HZ LYS A 212 41.917 1.138 −5.305 1.00 0.00 H ATOM 3497 N SER A 213 46.300 −4.548 −2.449 1.00 0.00 N ATOM 3498 CA SER A 213 46.726 −5.132 −1.170 1.00 0.00 C ATOM 3499 C SER A 213 46.391 −4.332 0.091 1.00 0.00 C ATOM 3500 O SER A 213 46.026 −4.905 1.116 1.00 0.00 O ATOM 3501 CB SER A 213 48.236 −5.327 −1.343 1.00 0.00 C ATOM 3502 OG SER A 213 48.897 −4.127 −1.732 1.00 0.00 O ATOM 3503 H SER A 213 47.028 −4.338 −3.116 1.00 0.00 H ATOM 3504 HA SER A 213 46.255 −6.112 −1.067 1.00 0.00 H ATOM 3505 1HB SER A 213 48.677 −5.694 −0.414 1.00 0.00 H ATOM 3506 2HB SER A 213 48.430 −6.095 −2.094 1.00 0.00 H ATOM 3507 HG SER A 213 49.824 −4.324 −1.824 1.00 0.00 H ATOM 3508 N ARG A 214 46.515 −3.014 0.017 1.00 0.00 N ATOM 3509 CA ARG A 214 46.237 −2.158 1.168 1.00 0.00 C ATOM 3510 C ARG A 214 44.773 −2.164 1.631 1.00 0.00 C ATOM 3511 O ARG A 214 44.480 −1.813 2.776 1.00 0.00 O ATOM 3512 CB ARG A 214 46.639 −0.713 0.855 1.00 0.00 C ATOM 3513 CG ARG A 214 48.134 −0.529 0.540 1.00 0.00 C ATOM 3514 CD ARG A 214 48.493 0.942 0.290 1.00 0.00 C ATOM 3515 NE ARG A 214 49.925 1.109 0.007 1.00 0.00 N ATOM 3516 CZ ARG A 214 50.535 2.251 −0.335 1.00 0.00 C ATOM 3517 NH1 ARG A 214 49.846 3.385 −0.451 1.00 0.00 N ATOM 3518 NH2 ARG A 214 51.846 2.250 −0.560 1.00 0.00 N ATOM 3519 H ARG A 214 46.889 −2.623 −0.835 1.00 0.00 H ATOM 3520 HA ARG A 214 46.837 −2.507 2.011 1.00 0.00 H ATOM 3521 1HB ARG A 214 46.044 −0.339 0.020 1.00 0.00 H ATOM 3522 2HB ARG A 214 46.388 −0.078 1.707 1.00 0.00 H ATOM 3523 1HG ARG A 214 48.727 −0.914 1.371 1.00 0.00 H ATOM 3524 2HG ARG A 214 48.408 −1.121 −0.334 1.00 0.00 H ATOM 3525 1HD ARG A 214 47.920 1.327 −0.555 1.00 0.00 H ATOM 3526 2HD ARG A 214 48.235 1.549 1.158 1.00 0.00 H ATOM 3527 HE ARG A 214 50.478 0.264 0.100 1.00 0.00 H ATOM 3528 1HH1 ARG A 214 50.284 4.259 −0.707 1.00 0.00 H ATOM 3529 2HH1 ARG A 214 48.853 3.417 −0.286 1.00 0.00 H ATOM 3530 1HH2 ARG A 214 52.348 3.087 −0.819 1.00 0.00 H ATOM 3531 2HH2 ARG A 214 52.403 1.412 −0.482 1.00 0.00 H ATOM 3532 N THR A 215 43.862 −2.554 0.741 1.00 0.00 N ATOM 3533 CA THR A 215 42.430 −2.575 1.041 1.00 0.00 C ATOM 3534 C THR A 215 42.036 −3.250 2.350 1.00 0.00 C ATOM 3535 O THR A 215 42.322 −4.424 2.563 1.00 0.00 O ATOM 3536 CB THR A 215 41.649 −3.247 −0.098 1.00 0.00 C ATOM 3537 OG1 THR A 215 42.070 −2.697 −1.335 1.00 0.00 O ATOM 3538 CG2 THR A 215 40.129 −3.074 −0.006 1.00 0.00 C ATOM 3539 H THR A 215 44.171 −2.923 −0.146 1.00 0.00 H ATOM 3540 HA THR A 215 42.152 −1.528 0.990 1.00 0.00 H ATOM 3541 HB THR A 215 41.876 −4.315 −0.130 1.00 0.00 H ATOM 3542 HG1 THR A 215 42.816 −3.228 −1.616 1.00 0.00 H ATOM 3543 1HG2 THR A 215 39.618 −3.414 −0.907 1.00 0.00 H ATOM 3544 2HG2 THR A 215 39.708 −3.626 0.833 1.00 0.00 H ATOM 3545 3HG2 THR A 215 39.892 −2.030 0.153 1.00 0.00 H ATOM 3546 N PRO A 216 41.353 −2.509 3.239 1.00 0.00 N ATOM 3547 CA PRO A 216 40.914 −3.047 4.535 1.00 0.00 C ATOM 3548 C PRO A 216 40.061 −4.302 4.375 1.00 0.00 C ATOM 3549 O PRO A 216 39.128 −4.328 3.575 1.00 0.00 O ATOM 3550 CB PRO A 216 40.119 −1.898 5.158 1.00 0.00 C ATOM 3551 CG PRO A 216 40.590 −0.619 4.504 1.00 0.00 C ATOM 3552 CD PRO A 216 41.107 −1.062 3.145 1.00 0.00 C ATOM 3553 HA PRO A 216 41.834 −3.204 5.095 1.00 0.00 H ATOM 3554 1HB PRO A 216 39.051 −2.013 4.965 1.00 0.00 H ATOM 3555 2HB PRO A 216 40.232 −1.871 6.243 1.00 0.00 H ATOM 3556 1HG PRO A 216 41.410 −0.197 5.087 1.00 0.00 H ATOM 3557 2HG PRO A 216 39.808 0.139 4.437 1.00 0.00 H ATOM 3558 1HD PRO A 216 42.010 −0.500 2.900 1.00 0.00 H ATOM 3559 2HD PRO A 216 40.356 −0.871 2.377 1.00 0.00 H ATOM 3560 N PRO A 217 40.376 −5.367 5.134 1.00 0.00 N ATOM 3561 CA PRO A 217 39.613 −6.614 5.050 1.00 0.00 C ATOM 3562 C PRO A 217 38.127 −6.421 5.324 1.00 0.00 C ATOM 3563 O PRO A 217 37.289 −7.117 4.753 1.00 0.00 O ATOM 3564 CB PRO A 217 40.271 −7.522 6.093 1.00 0.00 C ATOM 3565 CG PRO A 217 41.091 −6.646 7.021 1.00 0.00 C ATOM 3566 CD PRO A 217 41.355 −5.376 6.226 1.00 0.00 C ATOM 3567 HA PRO A 217 39.725 −7.043 4.052 1.00 0.00 H ATOM 3568 1HB PRO A 217 39.557 −8.139 6.642 1.00 0.00 H ATOM 3569 2HB PRO A 217 40.940 −8.212 5.577 1.00 0.00 H ATOM 3570 1HG PRO A 217 42.006 −7.128 7.368 1.00 0.00 H ATOM 3571 2HG PRO A 217 40.496 −6.398 7.902 1.00 0.00 H ATOM 3572 1HD PRO A 217 42.358 −5.400 5.798 1.00 0.00 H ATOM 3573 2HD PRO A 217 41.282 −4.499 6.871 1.00 0.00 H ATOM 3574 N GLU A 218 37.796 −5.484 6.204 1.00 0.00 N ATOM 3575 CA GLU A 218 36.394 −5.231 6.519 1.00 0.00 C ATOM 3576 C GLU A 218 35.637 −4.708 5.295 1.00 0.00 C ATOM 3577 O GLU A 218 34.476 −5.056 5.085 1.00 0.00 O ATOM 3578 CB GLU A 218 36.278 −4.232 7.672 1.00 0.00 C ATOM 3579 CG GLU A 218 37.095 −4.550 8.949 1.00 0.00 C ATOM 3580 CD GLU A 218 38.534 −4.035 8.947 1.00 0.00 C ATOM 3581 OE1 GLU A 218 39.061 −3.756 7.849 1.00 0.00 O ATOM 3582 OE2 GLU A 218 39.114 −3.949 10.045 1.00 0.00 O ATOM 3583 H GLU A 218 38.512 −4.986 6.707 1.00 0.00 H ATOM 3584 HA GLU A 218 35.947 −6.208 6.656 1.00 0.00 H ATOM 3585 1HB GLU A 218 36.537 −3.229 7.328 1.00 0.00 H ATOM 3586 2HB GLU A 218 35.226 −4.178 7.956 1.00 0.00 H ATOM 3587 1HG GLU A 218 36.598 −4.088 9.802 1.00 0.00 H ATOM 3588 2HG GLU A 218 37.099 −5.623 9.143 1.00 0.00 H ATOM 3589 N ALA A 219 36.297 −3.874 4.495 1.00 0.00 N ATOM 3590 CA ALA A 219 35.674 −3.333 3.290 1.00 0.00 C ATOM 3591 C ALA A 219 35.390 −4.467 2.304 1.00 0.00 C ATOM 3592 O ALA A 219 34.339 −4.502 1.668 1.00 0.00 O ATOM 3593 CB ALA A 219 36.581 −2.297 2.643 1.00 0.00 C ATOM 3594 H ALA A 219 37.281 −3.720 4.649 1.00 0.00 H ATOM 3595 HA ALA A 219 34.730 −2.856 3.565 1.00 0.00 H ATOM 3596 1HB ALA A 219 36.019 −1.695 1.931 1.00 0.00 H ATOM 3597 2HB ALA A 219 37.000 −1.614 3.378 1.00 0.00 H ATOM 3598 3HB ALA A 219 37.419 −2.750 2.111 1.00 0.00 H ATOM 3599 N ILE A 220 36.338 −5.389 2.176 1.00 0.00 N ATOM 3600 CA ILE A 220 36.180 −6.521 1.274 1.00 0.00 C ATOM 3601 C ILE A 220 35.042 −7.418 1.769 1.00 0.00 C ATOM 3602 O ILE A 220 34.182 −7.847 0.988 1.00 0.00 O ATOM 3603 CB ILE A 220 37.499 −7.333 1.182 1.00 0.00 C ATOM 3604 CG1 ILE A 220 38.694 −6.417 0.811 1.00 0.00 C ATOM 3605 CG2 ILE A 220 37.414 −8.507 0.189 1.00 0.00 C ATOM 3606 CD1 ILE A 220 40.071 −7.093 0.836 1.00 0.00 C ATOM 3607 H ILE A 220 37.176 −5.309 2.735 1.00 0.00 H ATOM 3608 HA ILE A 220 35.915 −6.149 0.281 1.00 0.00 H ATOM 3609 HB ILE A 220 37.708 −7.756 2.166 1.00 0.00 H ATOM 3610 1HG1 ILE A 220 38.527 −5.958 −0.163 1.00 0.00 H ATOM 3611 2HG1 ILE A 220 38.751 −5.590 1.510 1.00 0.00 H ATOM 3612 1HG2 ILE A 220 38.330 −9.096 0.174 1.00 0.00 H ATOM 3613 2HG2 ILE A 220 36.613 −9.200 0.444 1.00 0.00 H ATOM 3614 3HG2 ILE A 220 37.237 −8.144 −0.823 1.00 0.00 H ATOM 3615 1HD1 ILE A 220 40.866 −6.350 0.777 1.00 0.00 H ATOM 3616 2HD1 ILE A 220 40.223 −7.662 1.753 1.00 0.00 H ATOM 3617 3HD1 ILE A 220 40.197 −7.763 −0.010 1.00 0.00 H ATOM 3618 N ALA A 221 35.029 −7.687 3.072 1.00 0.00 N ATOM 3619 CA ALA A 221 33.993 −8.529 3.671 1.00 0.00 C ATOM 3620 C ALA A 221 32.595 −7.949 3.440 1.00 0.00 C ATOM 3621 O ALA A 221 31.674 −8.675 3.070 1.00 0.00 O ATOM 3622 CB ALA A 221 34.253 −8.688 5.167 1.00 0.00 C ATOM 3623 H ALA A 221 35.768 −7.322 3.668 1.00 0.00 H ATOM 3624 HA ALA A 221 34.033 −9.513 3.199 1.00 0.00 H ATOM 3625 1HB ALA A 221 33.512 −9.344 5.625 1.00 0.00 H ATOM 3626 2HB ALA A 221 35.235 −9.123 5.353 1.00 0.00 H ATOM 3627 3HB ALA A 221 34.211 −7.733 5.695 1.00 0.00 H ATOM 3628 N LEU A 222 32.438 −6.647 3.671 1.00 0.00 N ATOM 3629 CA LEU A 222 31.149 −5.988 3.463 1.00 0.00 C ATOM 3630 C LEU A 222 30.750 −6.156 1.994 1.00 0.00 C ATOM 3631 O LEU A 222 29.617 −6.510 1.668 1.00 0.00 O ATOM 3632 CB LEU A 222 31.252 −4.498 3.805 1.00 0.00 C ATOM 3633 CG LEU A 222 30.010 −3.617 3.515 1.00 0.00 C ATOM 3634 CD1 LEU A 222 28.719 −4.151 4.154 1.00 0.00 C ATOM 3635 CD2 LEU A 222 30.254 −2.166 3.950 1.00 0.00 C ATOM 3636 H LEU A 222 33.207 −6.115 4.074 1.00 0.00 H ATOM 3637 HA LEU A 222 30.397 −6.468 4.091 1.00 0.00 H ATOM 3638 1HB LEU A 222 31.516 −4.401 4.855 1.00 0.00 H ATOM 3639 2HB LEU A 222 32.100 −4.070 3.268 1.00 0.00 H ATOM 3640 HG LEU A 222 29.859 −3.594 2.436 1.00 0.00 H ATOM 3641 1HD1 LEU A 222 27.872 −3.499 3.936 1.00 0.00 H ATOM 3642 2HD1 LEU A 222 28.467 −5.137 3.768 1.00 0.00 H ATOM 3643 3HD1 LEU A 222 28.808 −4.227 5.236 1.00 0.00 H ATOM 3644 1HD2 LEU A 222 29.421 −1.522 3.666 1.00 0.00 H ATOM 3645 2HD2 LEU A 222 30.377 −2.093 5.030 1.00 0.00 H ATOM 3646 3HD2 LEU A 222 31.152 −1.760 3.480 1.00 0.00 H ATOM 3647 N CYS A 223 31.706 −5.912 1.109 1.00 0.00 N ATOM 3648 CA CYS A 223 31.478 −6.039 −0.317 1.00 0.00 C ATOM 3649 C CYS A 223 30.900 −7.394 −0.718 1.00 0.00 C ATOM 3650 O CYS A 223 29.919 −7.471 −1.459 1.00 0.00 O ATOM 3651 CB CYS A 223 32.791 −5.819 −1.048 1.00 0.00 C ATOM 3652 SG CYS A 223 32.472 −5.262 −2.746 1.00 0.00 S ATOM 3653 H CYS A 223 32.620 −5.621 1.439 1.00 0.00 H ATOM 3654 HA CYS A 223 30.760 −5.264 −0.592 1.00 0.00 H ATOM 3655 1HB CYS A 223 33.375 −5.030 −0.578 1.00 0.00 H ATOM 3656 2HB CYS A 223 33.422 −6.707 −1.086 1.00 0.00 H ATOM 3657 HG CYS A 223 31.821 −6.364 −3.138 1.00 0.00 H ATOM 3658 N SER A 224 31.517 −8.464 −0.230 1.00 0.00 N ATOM 3659 CA SER A 224 31.072 −9.813 −0.552 1.00 0.00 C ATOM 3660 C SER A 224 29.677 −10.103 −0.036 1.00 0.00 C ATOM 3661 O SER A 224 29.008 −11.021 −0.520 1.00 0.00 O ATOM 3662 CB SER A 224 32.040 −10.832 0.030 1.00 0.00 C ATOM 3663 OG SER A 224 31.805 −12.182 −0.332 1.00 0.00 O ATOM 3664 H SER A 224 32.294 −8.361 0.417 1.00 0.00 H ATOM 3665 HA SER A 224 31.063 −9.920 −1.639 1.00 0.00 H ATOM 3666 1HB SER A 224 33.051 −10.581 −0.295 1.00 0.00 H ATOM 3667 2HB SER A 224 32.051 −10.764 1.120 1.00 0.00 H ATOM 3668 HG SER A 224 32.544 −12.701 −0.041 1.00 0.00 H ATOM 3669 N SER A 225 29.236 −9.319 0.943 1.00 0.00 N ATOM 3670 CA SER A 225 27.910 −9.494 1.532 1.00 0.00 C ATOM 3671 C SER A 225 26.834 −8.655 0.848 1.00 0.00 C ATOM 3672 O SER A 225 25.648 −8.811 1.126 1.00 0.00 O ATOM 3673 CB SER A 225 27.953 −9.164 3.029 1.00 0.00 C ATOM 3674 OG SER A 225 27.128 −10.026 3.794 1.00 0.00 O ATOM 3675 H SER A 225 29.866 −8.633 1.340 1.00 0.00 H ATOM 3676 HA SER A 225 27.608 −10.541 1.439 1.00 0.00 H ATOM 3677 1HB SER A 225 28.967 −9.281 3.414 1.00 0.00 H ATOM 3678 2HB SER A 225 27.694 −8.120 3.206 1.00 0.00 H ATOM 3679 HG SER A 225 27.075 −9.687 4.677 1.00 0.00 H ATOM 3680 N LEU A 226 27.249 −7.759 −0.039 1.00 0.00 N ATOM 3681 CA LEU A 226 26.301 −6.926 −0.772 1.00 0.00 C ATOM 3682 C LEU A 226 26.140 −7.479 −2.182 1.00 0.00 C ATOM 3683 O LEU A 226 25.026 −7.594 −2.700 1.00 0.00 O ATOM 3684 CB LEU A 226 26.797 −5.477 −0.851 1.00 0.00 C ATOM 3685 CG LEU A 226 26.940 −4.749 0.506 1.00 0.00 C ATOM 3686 CD1 LEU A 226 27.816 −3.496 0.359 1.00 0.00 C ATOM 3687 CD2 LEU A 226 25.588 −4.365 1.117 1.00 0.00 C ATOM 3688 H LEU A 226 28.243 −7.670 −0.214 1.00 0.00 H ATOM 3689 HA LEU A 226 25.309 −6.923 −0.319 1.00 0.00 H ATOM 3690 1HB LEU A 226 27.767 −5.470 −1.351 1.00 0.00 H ATOM 3691 2HB LEU A 226 26.134 −4.896 −1.497 1.00 0.00 H ATOM 3692 HG LEU A 226 27.436 −5.410 1.214 1.00 0.00 H ATOM 3693 1HD1 LEU A 226 27.911 −2.968 1.308 1.00 0.00 H ATOM 3694 2HD1 LEU A 226 28.821 −3.750 0.022 1.00 0.00 H ATOM 3695 3HD1 LEU A 226 27.384 −2.800 −0.358 1.00 0.00 H ATOM 3696 1HD2 LEU A 226 25.714 −3.913 2.101 1.00 0.00 H ATOM 3697 2HD2 LEU A 226 25.076 −3.639 0.486 1.00 0.00 H ATOM 3698 3HD2 LEU A 226 24.938 −5.231 1.239 1.00 0.00 H ATOM 3699 N LEU A 227 27.265 −7.818 −2.800 1.00 0.00 N ATOM 3700 CA LEU A 227 27.255 −8.347 −4.156 1.00 0.00 C ATOM 3701 C LEU A 227 27.075 −9.868 −4.161 1.00 0.00 C ATOM 3702 O LEU A 227 28.013 −10.621 −4.421 1.00 0.00 O ATOM 3703 CB LEU A 227 28.545 −7.935 −4.861 1.00 0.00 C ATOM 3704 CG LEU A 227 28.693 −6.395 −5.003 1.00 0.00 C ATOM 3705 CD1 LEU A 227 30.064 −6.013 −5.569 1.00 0.00 C ATOM 3706 CD2 LEU A 227 27.568 −5.769 −5.844 1.00 0.00 C ATOM 3707 H LEU A 227 28.157 −7.738 −2.321 1.00 0.00 H ATOM 3708 HA LEU A 227 26.416 −7.946 −4.724 1.00 0.00 H ATOM 3709 1HB LEU A 227 29.400 −8.332 −4.311 1.00 0.00 H ATOM 3710 2HB LEU A 227 28.585 −8.392 −5.852 1.00 0.00 H ATOM 3711 HG LEU A 227 28.647 −5.944 −4.011 1.00 0.00 H ATOM 3712 1HD1 LEU A 227 30.170 −4.932 −5.669 1.00 0.00 H ATOM 3713 2HD1 LEU A 227 30.851 −6.349 −4.899 1.00 0.00 H ATOM 3714 3HD1 LEU A 227 30.239 −6.457 −6.547 1.00 0.00 H ATOM 3715 1HD2 LEU A 227 27.781 −4.732 −6.101 1.00 0.00 H ATOM 3716 2HD2 LEU A 227 27.418 −6.312 −6.776 1.00 0.00 H ATOM 3717 3HD2 LEU A 227 26.617 −5.770 −5.311 1.00 0.00 H ATOM 3718 N GLU A 228 25.854 −10.300 −3.854 1.00 0.00 N ATOM 3719 CA GLU A 228 25.494 −11.718 −3.812 1.00 0.00 C ATOM 3720 C GLU A 228 24.463 −11.995 −4.897 1.00 0.00 C ATOM 3721 O GLU A 228 23.582 −11.172 −5.128 1.00 0.00 O ATOM 3722 CB GLU A 228 24.879 −12.083 −2.452 1.00 0.00 C ATOM 3723 CG GLU A 228 25.318 −13.466 −1.901 1.00 0.00 C ATOM 3724 CD GLU A 228 24.974 −14.648 −2.808 1.00 0.00 C ATOM 3725 OE1 GLU A 228 23.868 −15.204 −2.659 1.00 0.00 O ATOM 3726 OE2 GLU A 228 25.776 −14.928 −3.723 1.00 0.00 O ATOM 3727 H GLU A 228 25.158 −9.606 −3.621 1.00 0.00 H ATOM 3728 HA GLU A 228 26.362 −12.362 −3.976 1.00 0.00 H ATOM 3729 1HB GLU A 228 25.177 −11.342 −1.709 1.00 0.00 H ATOM 3730 2HB GLU A 228 23.787 −12.041 −2.474 1.00 0.00 H ATOM 3731 1HG GLU A 228 26.396 −13.469 −1.737 1.00 0.00 H ATOM 3732 2HG GLU A 228 24.866 −13.635 −0.925 1.00 0.00 H ATOM 3733 N TYR A 229 24.566 −13.153 −5.550 1.00 0.00 N ATOM 3734 CA TYR A 229 23.618 −13.534 −6.598 1.00 0.00 C ATOM 3735 C TYR A 229 22.181 −13.621 −6.055 1.00 0.00 C ATOM 3736 O TYR A 229 21.261 −13.013 −6.595 1.00 0.00 O ATOM 3737 CB TYR A 229 23.997 −14.896 −7.206 1.00 0.00 C ATOM 3738 CG TYR A 229 25.094 −14.850 −8.243 1.00 0.00 C ATOM 3739 CD1 TYR A 229 24.938 −14.066 −9.406 1.00 0.00 C ATOM 3740 CD2 TYR A 229 26.253 −15.628 −8.068 1.00 0.00 C ATOM 3741 CE1 TYR A 229 25.930 −14.075 −10.401 1.00 0.00 C ATOM 3742 CE2 TYR A 229 27.241 −15.640 −9.063 1.00 0.00 C ATOM 3743 CZ TYR A 229 27.076 −14.870 −10.232 1.00 0.00 C ATOM 3744 OH TYR A 229 28.017 −14.905 −11.210 1.00 0.00 O ATOM 3745 H TYR A 229 25.330 −13.776 −5.333 1.00 0.00 H ATOM 3746 HA TYR A 229 23.640 −12.738 −7.340 1.00 0.00 H ATOM 3747 1HB TYR A 229 24.253 −15.597 −6.412 1.00 0.00 H ATOM 3748 2HB TYR A 229 23.131 −15.327 −7.712 1.00 0.00 H ATOM 3749 HD1 TYR A 229 24.053 −13.464 −9.552 1.00 0.00 H ATOM 3750 HD2 TYR A 229 26.386 −16.228 −7.179 1.00 0.00 H ATOM 3751 HE1 TYR A 229 25.807 −13.483 −11.296 1.00 0.00 H ATOM 3752 HE2 TYR A 229 28.120 −16.248 −8.908 1.00 0.00 H ATOM 3753 HH TYR A 229 28.675 −15.577 −11.015 1.00 0.00 H ATOM 3754 N THR A 230 21.982 −14.393 −4.992 1.00 0.00 N ATOM 3755 CA THR A 230 20.645 −14.537 −4.421 1.00 0.00 C ATOM 3756 C THR A 230 20.240 −13.248 −3.729 1.00 0.00 C ATOM 3757 O THR A 230 20.828 −12.867 −2.717 1.00 0.00 O ATOM 3758 CB THR A 230 20.584 −15.690 −3.396 1.00 0.00 C ATOM 3759 OG1 THR A 230 20.824 −16.901 −4.095 1.00 0.00 O ATOM 3760 CG2 THR A 230 19.249 −15.866 −2.660 1.00 0.00 C ATOM 3761 H THR A 230 22.734 −14.914 −4.570 1.00 0.00 H ATOM 3762 HA THR A 230 19.989 −14.843 −5.233 1.00 0.00 H ATOM 3763 HB THR A 230 21.382 −15.565 −2.668 1.00 0.00 H ATOM 3764 HG1 THR A 230 21.063 −17.558 −3.456 1.00 0.00 H ATOM 3765 1HG2 THR A 230 19.226 −16.789 −2.080 1.00 0.00 H ATOM 3766 2HG2 THR A 230 19.097 −15.056 −1.949 1.00 0.00 H ATOM 3767 3HG2 THR A 230 18.399 −15.874 −3.341 1.00 0.00 H ATOM 3768 N PRO A 231 19.223 −12.562 −4.262 1.00 0.00 N ATOM 3769 CA PRO A 231 18.735 −11.296 −3.696 1.00 0.00 C ATOM 3770 C PRO A 231 18.515 −11.291 −2.180 1.00 0.00 C ATOM 3771 O PRO A 231 18.943 −10.366 −1.484 1.00 0.00 O ATOM 3772 CB PRO A 231 17.442 −11.031 −4.468 1.00 0.00 C ATOM 3773 CG PRO A 231 17.522 −11.792 −5.765 1.00 0.00 C ATOM 3774 CD PRO A 231 18.404 −12.971 −5.420 1.00 0.00 C ATOM 3775 HA PRO A 231 19.467 −10.527 −3.945 1.00 0.00 H ATOM 3776 1HB PRO A 231 16.572 −11.384 −3.912 1.00 0.00 H ATOM 3777 2HB PRO A 231 17.291 −9.964 −4.642 1.00 0.00 H ATOM 3778 1HG PRO A 231 18.020 −11.175 −6.515 1.00 0.00 H ATOM 3779 2HG PRO A 231 16.549 −12.083 −6.164 1.00 0.00 H ATOM 3780 1HD PRO A 231 18.943 −13.286 −6.309 1.00 0.00 H ATOM 3781 2HD PRO A 231 17.775 −13.805 −5.109 1.00 0.00 H ATOM 3782 N SER A 232 17.852 −12.327 −1.672 1.00 0.00 N ATOM 3783 CA SER A 232 17.564 −12.431 −0.249 1.00 0.00 C ATOM 3784 C SER A 232 18.807 −12.659 0.596 1.00 0.00 C ATOM 3785 O SER A 232 18.768 −12.489 1.811 1.00 0.00 O ATOM 3786 CB SER A 232 16.575 −13.580 0.030 1.00 0.00 C ATOM 3787 OG SER A 232 16.991 −14.792 −0.569 1.00 0.00 O ATOM 3788 H SER A 232 17.535 −13.091 −2.250 1.00 0.00 H ATOM 3789 HA SER A 232 17.111 −11.498 0.092 1.00 0.00 H ATOM 3790 1HB SER A 232 16.433 −13.731 1.102 1.00 0.00 H ATOM 3791 2HB SER A 232 15.595 −13.319 −0.372 1.00 0.00 H ATOM 3792 HG SER A 232 16.298 −15.434 −0.461 1.00 0.00 H ATOM 3793 N SER A 233 19.911 −13.041 −0.034 1.00 0.00 N ATOM 3794 CA SER A 233 21.141 −13.287 0.708 1.00 0.00 C ATOM 3795 C SER A 233 21.913 −12.007 1.013 1.00 0.00 C ATOM 3796 O SER A 233 22.782 −11.994 1.888 1.00 0.00 O ATOM 3797 CB SER A 233 22.026 −14.245 −0.051 1.00 0.00 C ATOM 3798 OG SER A 233 21.443 −15.535 −0.112 1.00 0.00 O ATOM 3799 H SER A 233 19.925 −13.159 −1.039 1.00 0.00 H ATOM 3800 HA SER A 233 20.914 −13.749 1.672 1.00 0.00 H ATOM 3801 1HB SER A 233 22.265 −13.884 −1.049 1.00 0.00 H ATOM 3802 2HB SER A 233 22.986 −14.354 0.458 1.00 0.00 H ATOM 3803 HG SER A 233 22.023 −16.063 −0.651 1.00 0.00 H ATOM 3804 N ARG A 234 21.599 −10.930 0.300 1.00 0.00 N ATOM 3805 CA ARG A 234 22.291 −9.660 0.514 1.00 0.00 C ATOM 3806 C ARG A 234 21.896 −9.003 1.832 1.00 0.00 C ATOM 3807 O ARG A 234 20.766 −9.144 2.295 1.00 0.00 O ATOM 3808 CB ARG A 234 21.994 −8.695 −0.640 1.00 0.00 C ATOM 3809 CG ARG A 234 22.263 −9.306 −2.042 1.00 0.00 C ATOM 3810 CD ARG A 234 21.879 −8.410 −3.238 1.00 0.00 C ATOM 3811 NE ARG A 234 21.794 −9.200 −4.484 1.00 0.00 N ATOM 3812 CZ ARG A 234 20.923 −9.061 −5.495 1.00 0.00 C ATOM 3813 NH1 ARG A 234 20.009 −8.092 −5.507 1.00 0.00 N ATOM 3814 NH2 ARG A 234 20.967 −9.922 −6.510 1.00 0.00 N ATOM 3815 H ARG A 234 20.790 −10.957 −0.307 1.00 0.00 H ATOM 3816 HA ARG A 234 23.365 −9.857 0.525 1.00 0.00 H ATOM 3817 1HB ARG A 234 20.953 −8.376 −0.582 1.00 0.00 H ATOM 3818 2HB ARG A 234 22.591 −7.789 −0.525 1.00 0.00 H ATOM 3819 1HG ARG A 234 23.320 −9.563 −2.113 1.00 0.00 H ATOM 3820 2HG ARG A 234 21.722 −10.246 −2.148 1.00 0.00 H ATOM 3821 1HD ARG A 234 20.909 −7.959 −3.050 1.00 0.00 H ATOM 3822 2HD ARG A 234 22.577 −7.584 −3.366 1.00 0.00 H ATOM 3823 HE ARG A 234 22.512 −9.926 −4.601 1.00 0.00 H ATOM 3824 1HH1 ARG A 234 19.274 −8.121 −6.269 1.00 0.00 H ATOM 3825 2HH1 ARG A 234 19.933 −7.373 −4.799 1.00 0.00 H ATOM 3826 1HH2 ARG A 234 20.359 −9.788 −7.361 1.00 0.00 H ATOM 3827 2HH2 ARG A 234 21.525 −10.768 −6.510 1.00 0.00 H ATOM 3828 N LEU A 235 22.841 −8.288 2.434 1.00 0.00 N ATOM 3829 CA LEU A 235 22.582 −7.580 3.683 1.00 0.00 C ATOM 3830 C LEU A 235 21.479 −6.561 3.443 1.00 0.00 C ATOM 3831 O LEU A 235 21.297 −6.099 2.319 1.00 0.00 O ATOM 3832 CB LEU A 235 23.829 −6.817 4.127 1.00 0.00 C ATOM 3833 CG LEU A 235 25.002 −7.661 4.646 1.00 0.00 C ATOM 3834 CD1 LEU A 235 26.163 −6.735 5.044 1.00 0.00 C ATOM 3835 CD2 LEU A 235 24.621 −8.571 5.826 1.00 0.00 C ATOM 3836 H LEU A 235 23.773 −8.263 2.037 1.00 0.00 H ATOM 3837 HA LEU A 235 22.249 −8.287 4.444 1.00 0.00 H ATOM 3838 1HB LEU A 235 24.171 −6.183 3.307 1.00 0.00 H ATOM 3839 2HB LEU A 235 23.551 −6.123 4.923 1.00 0.00 H ATOM 3840 HG LEU A 235 25.323 −8.289 3.818 1.00 0.00 H ATOM 3841 1HD1 LEU A 235 27.041 −7.298 5.362 1.00 0.00 H ATOM 3842 2HD1 LEU A 235 26.457 −6.107 4.204 1.00 0.00 H ATOM 3843 3HD1 LEU A 235 25.881 −6.076 5.866 1.00 0.00 H ATOM 3844 1HD2 LEU A 235 25.494 −9.081 6.232 1.00 0.00 H ATOM 3845 2HD2 LEU A 235 24.162 −8.004 6.636 1.00 0.00 H ATOM 3846 3HD2 LEU A 235 23.916 −9.346 5.525 1.00 0.00 H ATOM 3847 N SER A 236 20.725 −6.219 4.480 1.00 0.00 N ATOM 3848 CA SER A 236 19.713 −5.184 4.329 1.00 0.00 C ATOM 3849 C SER A 236 20.512 −3.902 4.589 1.00 0.00 C ATOM 3850 O SER A 236 21.611 −3.957 5.145 1.00 0.00 O ATOM 3851 CB SER A 236 18.633 −5.256 5.410 1.00 0.00 C ATOM 3852 OG SER A 236 17.732 −4.173 5.580 1.00 0.00 O ATOM 3853 H SER A 236 20.867 −6.702 5.370 1.00 0.00 H ATOM 3854 HA SER A 236 19.256 −5.211 3.339 1.00 0.00 H ATOM 3855 1HB SER A 236 18.036 −6.150 5.225 1.00 0.00 H ATOM 3856 2HB SER A 236 19.105 −5.427 6.379 1.00 0.00 H ATOM 3857 HG SER A 236 17.006 −4.472 6.112 1.00 0.00 H ATOM 3858 N PRO A 237 19.995 −2.742 4.165 1.00 0.00 N ATOM 3859 CA PRO A 237 20.730 −1.496 4.409 1.00 0.00 C ATOM 3860 C PRO A 237 21.062 −1.262 5.885 1.00 0.00 C ATOM 3861 O PRO A 237 22.162 −0.821 6.209 1.00 0.00 O ATOM 3862 CB PRO A 237 19.806 −0.420 3.845 1.00 0.00 C ATOM 3863 CG PRO A 237 18.986 −1.091 2.761 1.00 0.00 C ATOM 3864 CD PRO A 237 18.892 −2.546 3.212 1.00 0.00 C ATOM 3865 HA PRO A 237 21.658 −1.525 3.834 1.00 0.00 H ATOM 3866 1HB PRO A 237 19.132 −0.051 4.617 1.00 0.00 H ATOM 3867 2HB PRO A 237 20.365 0.438 3.473 1.00 0.00 H ATOM 3868 1HG PRO A 237 19.522 −1.032 1.814 1.00 0.00 H ATOM 3869 2HG PRO A 237 18.009 −0.626 2.617 1.00 0.00 H ATOM 3870 1HD PRO A 237 18.956 −3.218 2.357 1.00 0.00 H ATOM 3871 2HD PRO A 237 17.924 −2.700 3.682 1.00 0.00 H ATOM 3872 N LEU A 238 20.118 −1.557 6.778 1.00 0.00 N ATOM 3873 CA LEU A 238 20.365 −1.362 8.208 1.00 0.00 C ATOM 3874 C LEU A 238 21.502 −2.275 8.690 1.00 0.00 C ATOM 3875 O LEU A 238 22.347 −1.852 9.477 1.00 0.00 O ATOM 3876 CB LEU A 238 19.085 −1.615 9.025 1.00 0.00 C ATOM 3877 CG LEU A 238 19.000 −0.906 10.392 1.00 0.00 C ATOM 3878 CD1 LEU A 238 19.073 0.629 10.269 1.00 0.00 C ATOM 3879 CD2 LEU A 238 17.702 −1.307 11.110 1.00 0.00 C ATOM 3880 H LEU A 238 19.216 −1.880 6.465 1.00 0.00 H ATOM 3881 HA LEU A 238 20.695 −0.330 8.320 1.00 0.00 H ATOM 3882 1HB LEU A 238 18.227 −1.282 8.438 1.00 0.00 H ATOM 3883 2HB LEU A 238 18.939 −2.689 9.158 1.00 0.00 H ATOM 3884 HG LEU A 238 19.837 −1.246 11.002 1.00 0.00 H ATOM 3885 1HD1 LEU A 238 18.901 1.115 11.226 1.00 0.00 H ATOM 3886 2HD1 LEU A 238 20.049 0.974 9.929 1.00 0.00 H ATOM 3887 3HD1 LEU A 238 18.320 1.012 9.579 1.00 0.00 H ATOM 3888 1HD2 LEU A 238 17.694 −0.958 12.143 1.00 0.00 H ATOM 3889 2HD2 LEU A 238 16.827 −0.895 10.605 1.00 0.00 H ATOM 3890 3HD2 LEU A 238 17.574 −2.386 11.137 1.00 0.00 H ATOM 3891 N GLU A 239 21.533 −3.516 8.209 1.00 0.00 N ATOM 3892 CA GLU A 239 22.593 −4.443 8.588 1.00 0.00 C ATOM 3893 C GLU A 239 23.937 −3.927 8.080 1.00 0.00 C ATOM 3894 O GLU A 239 24.960 −4.051 8.765 1.00 0.00 O ATOM 3895 CB GLU A 239 22.327 −5.837 8.012 1.00 0.00 C ATOM 3896 CG GLU A 239 21.071 −6.500 8.611 1.00 0.00 C ATOM 3897 CD GLU A 239 20.733 −7.800 7.902 1.00 0.00 C ATOM 3898 OE1 GLU A 239 20.777 −7.787 6.656 1.00 0.00 O ATOM 3899 OE2 GLU A 239 20.426 −8.784 8.600 1.00 0.00 O ATOM 3900 H GLU A 239 20.883 −3.783 7.488 1.00 0.00 H ATOM 3901 HA GLU A 239 22.649 −4.508 9.677 1.00 0.00 H ATOM 3902 1HB GLU A 239 22.250 −5.776 6.927 1.00 0.00 H ATOM 3903 2HB GLU A 239 23.184 −6.483 8.212 1.00 0.00 H ATOM 3904 1HG GLU A 239 21.218 −6.695 9.674 1.00 0.00 H ATOM 3905 2HG GLU A 239 20.204 −5.847 8.529 1.00 0.00 H ATOM 3906 N ALA A 240 23.936 −3.350 6.877 1.00 0.00 N ATOM 3907 CA ALA A 240 25.161 −2.801 6.303 1.00 0.00 C ATOM 3908 C ALA A 240 25.680 −1.699 7.228 1.00 0.00 C ATOM 3909 O ALA A 240 26.861 −1.665 7.550 1.00 0.00 O ATOM 3910 CB ALA A 240 24.891 −2.235 4.890 1.00 0.00 C ATOM 3911 H ALA A 240 23.075 −3.311 6.342 1.00 0.00 H ATOM 3912 HA ALA A 240 25.913 −3.589 6.236 1.00 0.00 H ATOM 3913 1HB ALA A 240 25.821 −1.910 4.424 1.00 0.00 H ATOM 3914 2HB ALA A 240 24.448 −2.989 4.239 1.00 0.00 H ATOM 3915 3HB ALA A 240 24.224 −1.375 4.903 1.00 0.00 H ATOM 3916 N CYS A 241 24.789 −0.814 7.670 1.00 0.00 N ATOM 3917 CA CYS A 241 25.170 0.280 8.568 1.00 0.00 C ATOM 3918 C CYS A 241 25.867 −0.251 9.831 1.00 0.00 C ATOM 3919 O CYS A 241 26.801 0.368 10.346 1.00 0.00 O ATOM 3920 CB CYS A 241 23.927 1.088 8.982 1.00 0.00 C ATOM 3921 SG CYS A 241 23.239 2.059 7.620 1.00 0.00 S ATOM 3922 H CYS A 241 23.835 −0.862 7.324 1.00 0.00 H ATOM 3923 HA CYS A 241 25.875 0.934 8.052 1.00 0.00 H ATOM 3924 1HB CYS A 241 23.148 0.461 9.406 1.00 0.00 H ATOM 3925 2HB CYS A 241 24.204 1.803 9.759 1.00 0.00 H ATOM 3926 HG CYS A 241 22.292 2.665 8.342 1.00 0.00 H ATOM 3927 N ALA A 242 25.409 −1.406 10.314 1.00 0.00 N ATOM 3928 CA ALA A 242 25.958 −2.019 11.524 1.00 0.00 C ATOM 3929 C ALA A 242 27.241 −2.826 11.307 1.00 0.00 C ATOM 3930 O ALA A 242 27.843 −3.315 12.271 1.00 0.00 O ATOM 3931 CB ALA A 242 24.889 −2.899 12.176 1.00 0.00 C ATOM 3932 H ALA A 242 24.663 −1.882 9.819 1.00 0.00 H ATOM 3933 HA ALA A 242 26.206 −1.235 12.243 1.00 0.00 H ATOM 3934 1HB ALA A 242 25.245 −3.330 13.113 1.00 0.00 H ATOM 3935 2HB ALA A 242 23.991 −2.324 12.405 1.00 0.00 H ATOM 3936 3HB ALA A 242 24.597 −3.723 11.523 1.00 0.00 H ATOM 3937 N HIS A 243 27.666 −2.954 10.051 1.00 0.00 N ATOM 3938 CA HIS A 243 28.874 −3.707 9.708 1.00 0.00 C ATOM 3939 C HIS A 243 30.151 −3.130 10.322 1.00 0.00 C ATOM 3940 O HIS A 243 30.278 −1.917 10.505 1.00 0.00 O ATOM 3941 CB HIS A 243 29.029 −3.773 8.184 1.00 0.00 C ATOM 3942 CG HIS A 243 29.795 −4.988 7.708 1.00 0.00 C ATOM 3943 ND1 HIS A 243 29.213 −6.243 7.621 1.00 0.00 N ATOM 3944 CD2 HIS A 243 31.104 −5.169 7.321 1.00 0.00 C ATOM 3945 CE1 HIS A 243 30.143 −7.091 7.179 1.00 0.00 C ATOM 3946 NE2 HIS A 243 31.315 −6.505 6.976 1.00 0.00 N ATOM 3947 H HIS A 243 27.144 −2.508 9.303 1.00 0.00 H ATOM 3948 HA HIS A 243 28.731 −4.723 10.083 1.00 0.00 H ATOM 3949 1HB HIS A 243 28.050 −3.846 7.713 1.00 0.00 H ATOM 3950 2HB HIS A 243 29.488 −2.864 7.791 1.00 0.00 H ATOM 3951 HD1 HIS A 243 28.253 −6.486 7.829 1.00 0.00 H ATOM 3952 HD2 HIS A 243 31.911 −4.455 7.248 1.00 0.00 H ATOM 3953 HE1 HIS A 243 29.964 −8.143 7.004 1.00 0.00 H ATOM 3954 N SER A 244 31.103 −4.013 10.614 1.00 0.00 N ATOM 3955 CA SER A 244 32.388 −3.634 11.206 1.00 0.00 C ATOM 3956 C SER A 244 33.172 −2.601 10.411 1.00 0.00 C ATOM 3957 O SER A 244 33.958 −1.842 10.978 1.00 0.00 O ATOM 3958 CB SER A 244 33.258 −4.875 11.394 1.00 0.00 C ATOM 3959 OG SER A 244 33.387 −5.609 10.182 1.00 0.00 O ATOM 3960 H SER A 244 30.941 −5.001 10.475 1.00 0.00 H ATOM 3961 HA SER A 244 32.170 −3.208 12.182 1.00 0.00 H ATOM 3962 1HB SER A 244 34.247 −4.602 11.769 1.00 0.00 H ATOM 3963 2HB SER A 244 32.816 −5.522 12.152 1.00 0.00 H ATOM 3964 HG SER A 244 33.888 −6.395 10.361 1.00 0.00 H ATOM 3965 N PHE A 245 32.971 −2.575 9.099 1.00 0.00 N ATOM 3966 CA PHE A 245 33.674 −1.615 8.257 1.00 0.00 C ATOM 3967 C PHE A 245 33.382 −0.192 8.726 1.00 0.00 C ATOM 3968 O PHE A 245 34.203 0.700 8.567 1.00 0.00 O ATOM 3969 CB PHE A 245 33.246 −1.783 6.788 1.00 0.00 C ATOM 3970 CG PHE A 245 33.754 −0.711 5.837 1.00 0.00 C ATOM 3971 CD1 PHE A 245 35.131 −0.410 5.752 1.00 0.00 C ATOM 3972 CD2 PHE A 245 32.823 0.089 5.147 1.00 0.00 C ATOM 3973 CE1 PHE A 245 35.550 0.760 5.090 1.00 0.00 C ATOM 3974 CE2 PHE A 245 33.239 1.253 4.483 1.00 0.00 C ATOM 3975 CZ PHE A 245 34.596 1.612 4.499 1.00 0.00 C ATOM 3976 H PHE A 245 32.358 −3.269 8.704 1.00 0.00 H ATOM 3977 HA PHE A 245 34.748 −1.776 8.355 1.00 0.00 H ATOM 3978 1HB PHE A 245 33.587 −2.748 6.413 1.00 0.00 H ATOM 3979 2HB PHE A 245 32.157 −1.809 6.731 1.00 0.00 H ATOM 3980 HD1 PHE A 245 35.860 −1.017 6.267 1.00 0.00 H ATOM 3981 HD2 PHE A 245 31.772 −0.140 5.187 1.00 0.00 H ATOM 3982 HE1 PHE A 245 36.595 1.031 5.081 1.00 0.00 H ATOM 3983 HE2 PHE A 245 32.510 1.897 4.012 1.00 0.00 H ATOM 3984 HZ PHE A 245 34.888 2.552 4.060 1.00 0.00 H ATOM 3985 N PHE A 246 32.217 0.020 9.324 1.00 0.00 N ATOM 3986 CA PHE A 246 31.851 1.360 9.781 1.00 0.00 C ATOM 3987 C PHE A 246 32.162 1.636 11.248 1.00 0.00 C ATOM 3988 O PHE A 246 31.736 2.660 11.787 1.00 0.00 O ATOM 3989 CB PHE A 246 30.362 1.612 9.509 1.00 0.00 C ATOM 3990 CG PHE A 246 29.447 2.532 10.325 1.00 0.00 C ATOM 3991 CD1 PHE A 246 29.229 3.866 9.933 1.00 0.00 C ATOM 3992 CD2 PHE A 246 28.787 2.039 11.472 1.00 0.00 C ATOM 3993 CE1 PHE A 246 28.399 4.705 10.709 1.00 0.00 C ATOM 3994 CE2 PHE A 246 27.891 2.853 12.191 1.00 0.00 C ATOM 3995 CZ PHE A 246 27.714 4.197 11.825 1.00 0.00 C ATOM 3996 H PHE A 246 31.576 −0.746 9.494 1.00 0.00 H ATOM 3997 HA PHE A 246 32.397 2.127 9.229 1.00 0.00 H ATOM 3998 1HB PHE A 246 30.281 1.954 8.482 1.00 0.00 H ATOM 3999 2HB PHE A 246 29.844 0.651 9.508 1.00 0.00 H ATOM 4000 HD1 PHE A 246 29.723 4.243 9.051 1.00 0.00 H ATOM 4001 HD2 PHE A 246 28.924 1.008 11.767 1.00 0.00 H ATOM 4002 HE1 PHE A 246 28.274 5.745 10.459 1.00 0.00 H ATOM 4003 HE2 PHE A 246 27.331 2.446 13.016 1.00 0.00 H ATOM 4004 HZ PHE A 246 27.047 4.833 12.390 1.00 0.00 H ATOM 4005 N ASP A 247 32.916 0.743 11.888 1.00 0.00 N ATOM 4006 CA ASP A 247 33.257 0.905 13.302 1.00 0.00 C ATOM 4007 C ASP A 247 34.010 2.195 13.625 1.00 0.00 C ATOM 4008 O ASP A 247 33.798 2.787 14.686 1.00 0.00 O ATOM 4009 CB ASP A 247 34.064 −0.299 13.794 1.00 0.00 C ATOM 4010 CG ASP A 247 33.244 −1.486 14.288 1.00 0.00 C ATOM 4011 OD1 ASP A 247 32.174 −1.250 14.890 1.00 0.00 O ATOM 4012 OD2 ASP A 247 33.725 −2.629 14.147 1.00 0.00 O ATOM 4013 H ASP A 247 33.237 −0.090 11.402 1.00 0.00 H ATOM 4014 HA ASP A 247 32.326 0.990 13.866 1.00 0.00 H ATOM 4015 1HB ASP A 247 34.785 −0.625 13.045 1.00 0.00 H ATOM 4016 2HB ASP A 247 34.666 −0.014 14.658 1.00 0.00 H ATOM 4017 N GLU A 248 34.884 2.639 12.729 1.00 0.00 N ATOM 4018 CA GLU A 248 35.626 3.870 12.971 1.00 0.00 C ATOM 4019 C GLU A 248 34.689 5.066 13.116 1.00 0.00 C ATOM 4020 O GLU A 248 34.970 5.993 13.876 1.00 0.00 O ATOM 4021 CB GLU A 248 36.615 4.150 11.836 1.00 0.00 C ATOM 4022 CG GLU A 248 37.355 5.526 11.877 1.00 0.00 C ATOM 4023 CD GLU A 248 38.497 5.697 10.871 1.00 0.00 C ATOM 4024 OE1 GLU A 248 38.891 4.699 10.239 1.00 0.00 O ATOM 4025 OE2 GLU A 248 38.968 6.849 10.720 1.00 0.00 O ATOM 4026 H GLU A 248 35.024 2.121 11.874 1.00 0.00 H ATOM 4027 HA GLU A 248 36.184 3.768 13.905 1.00 0.00 H ATOM 4028 1HB GLU A 248 37.361 3.354 11.834 1.00 0.00 H ATOM 4029 2HB GLU A 248 36.105 4.070 10.875 1.00 0.00 H ATOM 4030 1HG GLU A 248 36.657 6.343 11.696 1.00 0.00 H ATOM 4031 2HG GLU A 248 37.774 5.689 12.870 1.00 0.00 H ATOM 4032 N LEU A 249 33.579 5.054 12.382 1.00 0.00 N ATOM 4033 CA LEU A 249 32.620 6.153 12.453 1.00 0.00 C ATOM 4034 C LEU A 249 31.978 6.233 13.840 1.00 0.00 C ATOM 4035 O LEU A 249 31.524 7.297 14.257 1.00 0.00 O ATOM 4036 CB LEU A 249 31.529 5.985 11.384 1.00 0.00 C ATOM 4037 CG LEU A 249 31.979 6.114 9.914 1.00 0.00 C ATOM 4038 CD1 LEU A 249 30.942 6.849 9.041 1.00 0.00 C ATOM 4039 CD2 LEU A 249 33.313 6.836 9.762 1.00 0.00 C ATOM 4040 H LEU A 249 33.348 4.241 11.827 1.00 0.00 H ATOM 4041 HA LEU A 249 33.141 7.100 12.299 1.00 0.00 H ATOM 4042 1HB LEU A 249 31.006 5.044 11.539 1.00 0.00 H ATOM 4043 2HB LEU A 249 30.774 6.751 11.570 1.00 0.00 H ATOM 4044 HG LEU A 249 32.109 5.104 9.521 1.00 0.00 H ATOM 4045 1HD1 LEU A 249 31.233 6.826 7.990 1.00 0.00 H ATOM 4046 2HD1 LEU A 249 29.950 6.416 9.110 1.00 0.00 H ATOM 4047 3HD1 LEU A 249 30.857 7.896 9.334 1.00 0.00 H ATOM 4048 1HD2 LEU A 249 33.557 6.854 8.717 1.00 0.00 H ATOM 4049 2HD2 LEU A 249 33.276 7.869 10.109 1.00 0.00 H ATOM 4050 3HD2 LEU A 249 34.143 6.328 10.248 1.00 0.00 H ATOM 4051 N ARG A 250 31.953 5.110 14.550 1.00 0.00 N ATOM 4052 CA ARG A 250 31.363 5.065 15.886 1.00 0.00 C ATOM 4053 C ARG A 250 32.377 5.360 17.004 1.00 0.00 C ATOM 4054 O ARG A 250 32.045 5.285 18.195 1.00 0.00 O ATOM 4055 CB ARG A 250 30.699 3.700 16.111 1.00 0.00 C ATOM 4056 CG ARG A 250 29.616 3.267 15.108 1.00 0.00 C ATOM 4057 CD ARG A 250 28.861 2.016 15.595 1.00 0.00 C ATOM 4058 NE ARG A 250 29.751 0.861 15.821 1.00 0.00 N ATOM 4059 CZ ARG A 250 29.744 0.023 16.867 1.00 0.00 C ATOM 4060 NH1 ARG A 250 28.841 0.134 17.840 1.00 0.00 N ATOM 4061 NH2 ARG A 250 30.653 −0.940 16.936 1.00 0.00 N ATOM 4062 H ARG A 250 32.406 4.280 14.186 1.00 0.00 H ATOM 4063 HA ARG A 250 30.587 5.823 15.997 1.00 0.00 H ATOM 4064 1HB ARG A 250 31.487 2.946 16.071 1.00 0.00 H ATOM 4065 2HB ARG A 250 30.346 3.617 17.135 1.00 0.00 H ATOM 4066 1HG ARG A 250 28.901 4.079 14.970 1.00 0.00 H ATOM 4067 2HG ARG A 250 30.060 3.086 14.127 1.00 0.00 H ATOM 4068 1HD ARG A 250 28.352 2.280 16.520 1.00 0.00 H ATOM 4069 2HD ARG A 250 28.083 1.718 14.896 1.00 0.00 H ATOM 4070 HE ARG A 250 30.407 0.650 15.075 1.00 0.00 H ATOM 4071 1HH1 ARG A 250 28.858 −0.452 18.659 1.00 0.00 H ATOM 4072 2HH1 ARG A 250 27.985 0.663 17.660 1.00 0.00 H ATOM 4073 1HH2 ARG A 250 30.713 −1.599 17.694 1.00 0.00 H ATOM 4074 2HH2 ARG A 250 31.311 −1.105 16.128 1.00 0.00 H ATOM 4075 N CYS A 251 33.605 5.696 16.618 1.00 0.00 N ATOM 4076 CA CYS A 251 34.661 6.021 17.577 1.00 0.00 C ATOM 4077 C CYS A 251 34.425 7.448 18.056 1.00 0.00 C ATOM 4078 O CYS A 251 34.305 8.365 17.249 1.00 0.00 O ATOM 4079 CB CYS A 251 36.033 5.924 16.897 1.00 0.00 C ATOM 4080 SG CYS A 251 37.379 6.025 18.118 1.00 0.00 S ATOM 4081 H CYS A 251 33.797 5.808 15.629 1.00 0.00 H ATOM 4082 HA CYS A 251 34.626 5.323 18.416 1.00 0.00 H ATOM 4083 1HB CYS A 251 36.127 4.981 16.358 1.00 0.00 H ATOM 4084 2HB CYS A 251 36.173 6.717 16.178 1.00 0.00 H ATOM 4085 HG CYS A 251 38.373 5.922 17.228 1.00 0.00 H ATOM 4086 N LEU A 252 34.377 7.660 19.382 1.00 0.00 N ATOM 4087 CA LEU A 252 34.150 8.996 19.943 1.00 0.00 C ATOM 4088 C LEU A 252 35.168 10.063 19.542 1.00 0.00 C ATOM 4089 O LEU A 252 34.868 11.257 19.586 1.00 0.00 O ATOM 4090 CB LEU A 252 34.147 8.756 21.452 1.00 0.00 C ATOM 4091 CG LEU A 252 35.447 8.220 22.123 1.00 0.00 C ATOM 4092 CD1 LEU A 252 35.614 8.815 23.529 1.00 0.00 C ATOM 4093 CD2 LEU A 252 35.498 6.682 22.200 1.00 0.00 C ATOM 4094 H LEU A 252 34.477 6.884 20.018 1.00 0.00 H ATOM 4095 HA LEU A 252 33.164 9.339 19.627 1.00 0.00 H ATOM 4096 1HB LEU A 252 33.891 9.713 21.911 1.00 0.00 H ATOM 4097 2HB LEU A 252 33.310 8.110 21.709 1.00 0.00 H ATOM 4098 HG LEU A 252 36.320 8.546 21.559 1.00 0.00 H ATOM 4099 1HD1 LEU A 252 36.530 8.464 24.004 1.00 0.00 H ATOM 4100 2HD1 LEU A 252 35.666 9.904 23.495 1.00 0.00 H ATOM 4101 3HD1 LEU A 252 34.781 8.544 24.177 1.00 0.00 H ATOM 4102 1HD2 LEU A 252 36.385 6.350 22.741 1.00 0.00 H ATOM 4103 2HD2 LEU A 252 34.630 6.279 22.723 1.00 0.00 H ATOM 4104 3HD2 LEU A 252 35.546 6.214 21.218 1.00 0.00 H ATOM 4105 N GLY A 253 36.367 9.647 19.146 1.00 0.00 N ATOM 4106 CA GLY A 253 37.397 10.612 18.760 1.00 0.00 C ATOM 4107 C GLY A 253 37.564 10.830 17.262 1.00 0.00 C ATOM 4108 O GLY A 253 38.476 11.540 16.843 1.00 0.00 O ATOM 4109 H GLY A 253 36.562 8.657 19.104 1.00 0.00 H ATOM 4110 1HA GLY A 253 37.271 11.583 19.242 1.00 0.00 H ATOM 4111 2HA GLY A 253 38.347 10.230 19.135 1.00 0.00 H ATOM 4112 N THR A 254 36.696 10.224 16.457 1.00 0.00 N ATOM 4113 CA THR A 254 36.788 10.376 15.011 1.00 0.00 C ATOM 4114 C THR A 254 36.574 11.832 14.601 1.00 0.00 C ATOM 4115 O THR A 254 35.750 12.544 15.176 1.00 0.00 O ATOM 4116 CB THR A 254 35.758 9.468 14.277 1.00 0.00 C ATOM 4117 OG1 THR A 254 36.354 8.194 14.348 1.00 0.00 O ATOM 4118 CG2 THR A 254 35.578 9.698 12.762 1.00 0.00 C ATOM 4119 H THR A 254 35.907 9.719 16.845 1.00 0.00 H ATOM 4120 HA THR A 254 37.791 10.062 14.712 1.00 0.00 H ATOM 4121 HB THR A 254 34.792 9.471 14.785 1.00 0.00 H ATOM 4122 HG1 THR A 254 35.722 7.515 14.103 1.00 0.00 H ATOM 4123 1HG2 THR A 254 34.922 8.945 12.325 1.00 0.00 H ATOM 4124 2HG2 THR A 254 35.136 10.670 12.544 1.00 0.00 H ATOM 4125 3HG2 THR A 254 36.531 9.646 12.234 1.00 0.00 H ATOM 4126 N GLN A 255 37.338 12.264 13.606 1.00 0.00 N ATOM 4127 CA GLN A 255 37.261 13.624 13.094 1.00 0.00 C ATOM 4128 C GLN A 255 37.462 13.610 11.586 1.00 0.00 C ATOM 4129 O GLN A 255 38.040 12.671 11.038 1.00 0.00 O ATOM 4130 CB GLN A 255 38.354 14.484 13.729 1.00 0.00 C ATOM 4131 CG GLN A 255 38.145 14.833 15.218 1.00 0.00 C ATOM 4132 CD GLN A 255 36.954 15.760 15.466 1.00 0.00 C ATOM 4133 OE1 GLN A 255 37.042 16.967 15.276 1.00 0.00 O ATOM 4134 NE2 GLN A 255 35.833 15.215 15.913 1.00 0.00 N ATOM 4135 H GLN A 255 37.891 11.604 13.074 1.00 0.00 H ATOM 4136 HA GLN A 255 36.281 14.068 13.277 1.00 0.00 H ATOM 4137 1HB GLN A 255 39.321 13.993 13.612 1.00 0.00 H ATOM 4138 2HB GLN A 255 38.443 15.427 13.183 1.00 0.00 H ATOM 4139 1HG GLN A 255 38.060 13.935 15.828 1.00 0.00 H ATOM 4140 2HG GLN A 255 39.034 15.347 15.584 1.00 0.00 H ATOM 4141 1HE2 GLN A 255 35.044 15.796 16.140 1.00 0.00 H ATOM 4142 2HE2 GLN A 255 35.752 14.197 15.935 1.00 0.00 H ATOM 4143 N LEU A 256 36.990 14.649 10.913 1.00 0.00 N ATOM 4144 CA LEU A 256 37.167 14.733 9.471 1.00 0.00 C ATOM 4145 C LEU A 256 38.603 15.182 9.181 1.00 0.00 C ATOM 4146 O LEU A 256 39.232 15.860 10.001 1.00 0.00 O ATOM 4147 CB LEU A 256 36.195 15.751 8.865 1.00 0.00 C ATOM 4148 CG LEU A 256 34.699 15.401 9.034 1.00 0.00 C ATOM 4149 CD1 LEU A 256 33.817 16.341 8.199 1.00 0.00 C ATOM 4150 CD2 LEU A 256 34.373 13.942 8.684 1.00 0.00 C ATOM 4151 H LEU A 256 36.574 15.438 11.405 1.00 0.00 H ATOM 4152 HA LEU A 256 36.972 13.751 9.047 1.00 0.00 H ATOM 4153 1HB LEU A 256 36.374 16.729 9.315 1.00 0.00 H ATOM 4154 2HB LEU A 256 36.397 15.895 7.805 1.00 0.00 H ATOM 4155 HG LEU A 256 34.437 15.550 10.081 1.00 0.00 H ATOM 4156 1HD1 LEU A 256 32.759 16.140 8.370 1.00 0.00 H ATOM 4157 2HD1 LEU A 256 33.980 17.384 8.450 1.00 0.00 H ATOM 4158 3HD1 LEU A 256 34.009 16.231 7.133 1.00 0.00 H ATOM 4159 1HD2 LEU A 256 33.298 13.780 8.625 1.00 0.00 H ATOM 4160 2HD2 LEU A 256 34.799 13.670 7.723 1.00 0.00 H ATOM 4161 3HD2 LEU A 256 34.756 13.248 9.433 1.00 0.00 H ATOM 4162 N PRO A 257 39.150 14.779 8.026 1.00 0.00 N ATOM 4163 CA PRO A 257 40.517 15.192 7.691 1.00 0.00 C ATOM 4164 C PRO A 257 40.696 16.714 7.713 1.00 0.00 C ATOM 4165 O PRO A 257 41.807 17.203 7.924 1.00 0.00 O ATOM 4166 CB PRO A 257 40.739 14.596 6.301 1.00 0.00 C ATOM 4167 CG PRO A 257 39.404 14.152 5.740 1.00 0.00 C ATOM 4168 CD PRO A 257 38.477 14.054 6.941 1.00 0.00 C ATOM 4169 HA PRO A 257 41.204 14.737 8.408 1.00 0.00 H ATOM 4170 1HB PRO A 257 41.253 15.277 5.620 1.00 0.00 H ATOM 4171 2HB PRO A 257 41.385 13.723 6.399 1.00 0.00 H ATOM 4172 1HG PRO A 257 39.486 13.218 5.187 1.00 0.00 H ATOM 4173 2HG PRO A 257 39.028 14.908 5.049 1.00 0.00 H ATOM 4174 1HD PRO A 257 38.353 13.010 7.230 1.00 0.00 H ATOM 4175 2HD PRO A 257 37.493 14.441 6.684 1.00 0.00 H ATOM 4176 N ASN A 258 39.617 17.466 7.504 1.00 0.00 N ATOM 4177 CA ASN A 258 39.734 18.920 7.524 1.00 0.00 C ATOM 4178 C ASN A 258 39.613 19.491 8.934 1.00 0.00 C ATOM 4179 O ASN A 258 39.513 20.701 9.117 1.00 0.00 O ATOM 4180 CB ASN A 258 38.709 19.573 6.578 1.00 0.00 C ATOM 4181 CG ASN A 258 37.253 19.123 6.763 1.00 0.00 C ATOM 4182 OD1 ASN A 258 36.800 18.893 7.879 1.00 0.00 O ATOM 4183 ND2 ASN A 258 36.516 18.923 5.678 1.00 0.00 N ATOM 4184 H ASN A 258 38.753 17.030 7.222 1.00 0.00 H ATOM 4185 HA ASN A 258 40.712 19.228 7.149 1.00 0.00 H ATOM 4186 1HB ASN A 258 38.741 20.660 6.663 1.00 0.00 H ATOM 4187 2HB ASN A 258 39.008 19.358 5.552 1.00 0.00 H ATOM 4188 1HD2 ASN A 258 35.560 18.622 5.776 1.00 0.00 H ATOM 4189 2HD2 ASN A 258 36.881 19.101 4.754 1.00 0.00 H ATOM 4190 N ASN A 259 39.630 18.611 9.928 1.00 0.00 N ATOM 4191 CA ASN A 259 39.552 19.061 11.305 1.00 0.00 C ATOM 4192 C ASN A 259 38.159 19.208 11.881 1.00 0.00 C ATOM 4193 O ASN A 259 38.000 19.318 13.093 1.00 0.00 O ATOM 4194 CB ASN A 259 40.564 20.175 11.714 1.00 0.00 C ATOM 4195 CG ASN A 259 41.045 20.072 13.164 1.00 0.00 C ATOM 4196 OD1 ASN A 259 41.714 19.111 13.533 1.00 0.00 O ATOM 4197 ND2 ASN A 259 40.722 21.050 14.001 1.00 0.00 N ATOM 4198 H ASN A 259 39.739 17.613 9.760 1.00 0.00 H ATOM 4199 HA ASN A 259 39.907 18.161 11.811 1.00 0.00 H ATOM 4200 1HB ASN A 259 41.457 20.112 11.092 1.00 0.00 H ATOM 4201 2HB ASN A 259 40.137 21.163 11.539 1.00 0.00 H ATOM 4202 1HD2 ASN A 259 41.016 21.005 14.965 1.00 0.00 H ATOM 4203 2HD2 ASN A 259 40.152 21.824 13.694 1.00 0.00 H ATOM 4204 N ARG A 260 37.144 19.211 11.028 1.00 0.00 N ATOM 4205 CA ARG A 260 35.764 19.349 11.494 1.00 0.00 C ATOM 4206 C ARG A 260 35.248 18.065 12.136 1.00 0.00 C ATOM 4207 O ARG A 260 35.837 16.997 11.982 1.00 0.00 O ATOM 4208 CB ARG A 260 34.847 19.695 10.328 1.00 0.00 C ATOM 4209 CG ARG A 260 35.166 21.042 9.655 1.00 0.00 C ATOM 4210 CD ARG A 260 34.142 21.409 8.566 1.00 0.00 C ATOM 4211 NE ARG A 260 33.047 22.214 9.130 1.00 0.00 N ATOM 4212 CZ ARG A 260 32.131 22.913 8.449 1.00 0.00 C ATOM 4213 NH1 ARG A 260 32.071 22.869 7.119 1.00 0.00 N ATOM 4214 NH2 ARG A 260 31.265 23.669 9.117 1.00 0.00 N ATOM 4215 H ARG A 260 37.335 19.242 10.040 1.00 0.00 H ATOM 4216 HA ARG A 260 35.722 20.152 12.233 1.00 0.00 H ATOM 4217 1HB ARG A 260 34.925 18.910 9.582 1.00 0.00 H ATOM 4218 2HB ARG A 260 33.798 19.695 10.619 1.00 0.00 H ATOM 4219 1HG ARG A 260 35.210 21.828 10.410 1.00 0.00 H ATOM 4220 2HG ARG A 260 36.162 21.015 9.213 1.00 0.00 H ATOM 4221 1HD ARG A 260 34.637 22.011 7.803 1.00 0.00 H ATOM 4222 2HD ARG A 260 33.753 20.524 8.060 1.00 0.00 H ATOM 4223 HE ARG A 260 33.019 22.232 10.142 1.00 0.00 H ATOM 4224 1HH1 ARG A 260 31.415 23.430 6.599 1.00 0.00 H ATOM 4225 2HH1 ARG A 260 32.593 22.180 6.572 1.00 0.00 H ATOM 4226 1HH2 ARG A 260 30.555 24.215 8.654 1.00 0.00 H ATOM 4227 2HH2 ARG A 260 31.281 23.736 10.124 1.00 0.00 H ATOM 4228 N PRO A 261 34.146 18.172 12.869 1.00 0.00 N ATOM 4229 CA PRO A 261 33.557 16.985 13.473 1.00 0.00 C ATOM 4230 C PRO A 261 32.792 16.285 12.358 1.00 0.00 C ATOM 4231 O PRO A 261 32.459 16.895 11.338 1.00 0.00 O ATOM 4232 CB PRO A 261 32.571 17.356 14.578 1.00 0.00 C ATOM 4233 CG PRO A 261 32.245 18.811 14.217 1.00 0.00 C ATOM 4234 CD PRO A 261 33.437 19.350 13.388 1.00 0.00 C ATOM 4235 HA PRO A 261 34.320 16.311 13.866 1.00 0.00 H ATOM 4236 1HB PRO A 261 31.683 16.723 14.640 1.00 0.00 H ATOM 4237 2HB PRO A 261 33.075 17.319 15.544 1.00 0.00 H ATOM 4238 1HG PRO A 261 32.034 19.424 15.094 1.00 0.00 H ATOM 4239 2HG PRO A 261 31.349 18.823 13.594 1.00 0.00 H ATOM 4240 1HD PRO A 261 34.116 19.909 14.033 1.00 0.00 H ATOM 4241 2HD PRO A 261 33.085 20.026 12.611 1.00 0.00 H ATOM 4242 N LEU A 262 32.519 15.005 12.548 1.00 0.00 N ATOM 4243 CA LEU A 262 31.771 14.259 11.548 1.00 0.00 C ATOM 4244 C LEU A 262 30.335 14.806 11.532 1.00 0.00 C ATOM 4245 O LEU A 262 29.880 15.405 12.508 1.00 0.00 O ATOM 4246 CB LEU A 262 31.738 12.769 11.908 1.00 0.00 C ATOM 4247 CG LEU A 262 32.053 12.344 13.374 1.00 0.00 C ATOM 4248 CD1 LEU A 262 30.983 12.806 14.379 1.00 0.00 C ATOM 4249 CD2 LEU A 262 32.250 10.824 13.497 1.00 0.00 C ATOM 4250 H LEU A 262 32.772 14.550 13.410 1.00 0.00 H ATOM 4251 HA LEU A 262 32.231 14.394 10.568 1.00 0.00 H ATOM 4252 1HB LEU A 262 30.791 12.319 11.606 1.00 0.00 H ATOM 4253 2HB LEU A 262 32.477 12.287 11.266 1.00 0.00 H ATOM 4254 HG LEU A 262 33.012 12.774 13.666 1.00 0.00 H ATOM 4255 1HD1 LEU A 262 31.205 12.444 15.383 1.00 0.00 H ATOM 4256 2HD1 LEU A 262 30.917 13.892 14.441 1.00 0.00 H ATOM 4257 3HD1 LEU A 262 29.995 12.435 14.104 1.00 0.00 H ATOM 4258 1HD2 LEU A 262 32.722 10.570 14.446 1.00 0.00 H ATOM 4259 2HD2 LEU A 262 31.311 10.279 13.465 1.00 0.00 H ATOM 4260 3HD2 LEU A 262 32.875 10.429 12.698 1.00 0.00 H ATOM 4261 N PRO A 263 29.613 14.626 10.413 1.00 0.00 N ATOM 4262 CA PRO A 263 28.232 15.119 10.344 1.00 0.00 C ATOM 4263 C PRO A 263 27.324 14.214 11.176 1.00 0.00 C ATOM 4264 O PRO A 263 27.803 13.320 11.873 1.00 0.00 O ATOM 4265 CB PRO A 263 27.898 15.040 8.855 1.00 0.00 C ATOM 4266 CG PRO A 263 28.870 14.038 8.244 1.00 0.00 C ATOM 4267 CD PRO A 263 30.084 14.048 9.155 1.00 0.00 C ATOM 4268 HA PRO A 263 28.160 16.147 10.703 1.00 0.00 H ATOM 4269 1HB PRO A 263 26.887 14.733 8.606 1.00 0.00 H ATOM 4270 2HB PRO A 263 28.074 16.021 8.417 1.00 0.00 H ATOM 4271 1HG PRO A 263 29.119 14.264 7.206 1.00 0.00 H ATOM 4272 2HG PRO A 263 28.439 13.042 8.267 1.00 0.00 H ATOM 4273 1HD PRO A 263 30.856 14.688 8.727 1.00 0.00 H ATOM 4274 2HD PRO A 263 30.497 13.045 9.274 1.00 0.00 H ATOM 4275 N PRO A 264 26.019 14.445 11.104 1.00 0.00 N ATOM 4276 CA PRO A 264 25.058 13.623 11.846 1.00 0.00 C ATOM 4277 C PRO A 264 25.143 12.176 11.348 1.00 0.00 C ATOM 4278 O PRO A 264 25.121 11.928 10.138 1.00 0.00 O ATOM 4279 CB PRO A 264 23.644 14.170 11.646 1.00 0.00 C ATOM 4280 CG PRO A 264 23.894 15.602 11.184 1.00 0.00 C ATOM 4281 CD PRO A 264 25.323 15.644 10.608 1.00 0.00 C ATOM 4282 HA PRO A 264 25.317 13.674 12.906 1.00 0.00 H ATOM 4283 1HB PRO A 264 23.106 13.628 10.865 1.00 0.00 H ATOM 4284 2HB PRO A 264 23.041 14.117 12.553 1.00 0.00 H ATOM 4285 1HG PRO A 264 23.841 16.265 12.049 1.00 0.00 H ATOM 4286 2HG PRO A 264 23.145 15.947 10.470 1.00 0.00 H ATOM 4287 1HD PRO A 264 25.833 16.565 10.893 1.00 0.00 H ATOM 4288 2HD PRO A 264 25.242 15.627 9.523 1.00 0.00 H ATOM 4289 N LEU A 265 25.235 11.225 12.274 1.00 0.00 N ATOM 4290 CA LEU A 265 25.341 9.815 11.904 1.00 0.00 C ATOM 4291 C LEU A 265 24.496 8.886 12.756 1.00 0.00 C ATOM 4292 O LEU A 265 24.266 7.730 12.387 1.00 0.00 O ATOM 4293 CB LEU A 265 26.789 9.338 12.042 1.00 0.00 C ATOM 4294 CG LEU A 265 27.863 9.938 11.113 1.00 0.00 C ATOM 4295 CD1 LEU A 265 29.244 9.808 11.761 1.00 0.00 C ATOM 4296 CD2 LEU A 265 27.867 9.268 9.743 1.00 0.00 C ATOM 4297 H LEU A 265 25.388 11.491 13.232 1.00 0.00 H ATOM 4298 HA LEU A 265 25.021 9.635 10.876 1.00 0.00 H ATOM 4299 1HB LEU A 265 27.090 9.529 13.074 1.00 0.00 H ATOM 4300 2HB LEU A 265 26.836 8.250 11.946 1.00 0.00 H ATOM 4301 HG LEU A 265 27.681 10.999 10.964 1.00 0.00 H ATOM 4302 1HD1 LEU A 265 30.032 10.179 11.106 1.00 0.00 H ATOM 4303 2HD1 LEU A 265 29.273 10.393 12.679 1.00 0.00 H ATOM 4304 3HD1 LEU A 265 29.479 8.773 12.012 1.00 0.00 H ATOM 4305 1HD2 LEU A 265 28.761 9.533 9.180 1.00 0.00 H ATOM 4306 2HD2 LEU A 265 27.852 8.183 9.833 1.00 0.00 H ATOM 4307 3HD2 LEU A 265 26.997 9.593 9.179 1.00 0.00 H ATOM 4308 N PHE A 266 24.044 9.380 13.901 1.00 0.00 N ATOM 4309 CA PHE A 266 23.307 8.523 14.824 1.00 0.00 C ATOM 4310 C PHE A 266 21.887 8.933 15.196 1.00 0.00 C ATOM 4311 O PHE A 266 21.284 8.311 16.079 1.00 0.00 O ATOM 4312 CB PHE A 266 24.140 8.351 16.101 1.00 0.00 C ATOM 4313 CG PHE A 266 24.469 9.777 16.588 1.00 0.00 C ATOM 4314 CD1 PHE A 266 25.548 10.500 16.023 1.00 0.00 C ATOM 4315 CD2 PHE A 266 23.551 10.465 17.407 1.00 0.00 C ATOM 4316 CE1 PHE A 266 25.655 11.894 16.205 1.00 0.00 C ATOM 4317 CE2 PHE A 266 23.681 11.850 17.629 1.00 0.00 C ATOM 4318 CZ PHE A 266 24.725 12.568 17.017 1.00 0.00 C ATOM 4319 H PHE A 266 24.322 10.300 14.193 1.00 0.00 H ATOM 4320 HA PHE A 266 23.175 7.516 14.427 1.00 0.00 H ATOM 4321 1HB PHE A 266 23.624 7.781 16.875 1.00 0.00 H ATOM 4322 2HB PHE A 266 25.062 7.810 15.885 1.00 0.00 H ATOM 4323 HD1 PHE A 266 26.265 9.995 15.390 1.00 0.00 H ATOM 4324 HD2 PHE A 266 22.699 9.930 17.798 1.00 0.00 H ATOM 4325 HE1 PHE A 266 26.465 12.440 15.742 1.00 0.00 H ATOM 4326 HE2 PHE A 266 22.956 12.371 18.238 1.00 0.00 H ATOM 4327 HZ PHE A 266 24.812 13.634 17.170 1.00 0.00 H ATOM 4328 N ASN A 267 21.342 9.950 14.530 1.00 0.00 N ATOM 4329 CA ASN A 267 19.990 10.395 14.840 1.00 0.00 C ATOM 4330 C ASN A 267 18.922 9.514 14.194 1.00 0.00 C ATOM 4331 O ASN A 267 18.068 9.988 13.451 1.00 0.00 O ATOM 4332 CB ASN A 267 19.799 11.869 14.444 1.00 0.00 C ATOM 4333 CG ASN A 267 20.097 12.197 12.965 1.00 0.00 C ATOM 4334 OD1 ASN A 267 21.175 11.901 12.451 1.00 0.00 O ATOM 4335 ND2 ASN A 267 19.134 12.744 12.235 1.00 0.00 N ATOM 4336 H ASN A 267 21.937 10.501 13.927 1.00 0.00 H ATOM 4337 HA ASN A 267 19.793 10.346 15.909 1.00 0.00 H ATOM 4338 1HB ASN A 267 18.789 12.197 14.697 1.00 0.00 H ATOM 4339 2HB ASN A 267 20.463 12.486 15.049 1.00 0.00 H ATOM 4340 1HD2 ASN A 267 19.293 12.919 11.254 1.00 0.00 H ATOM 4341 2HD2 ASN A 267 18.228 12.930 12.638 1.00 0.00 H ATOM 4342 N PHE A 268 18.980 8.220 14.490 1.00 0.00 N ATOM 4343 CA PHE A 268 18.018 7.267 13.951 1.00 0.00 C ATOM 4344 C PHE A 268 16.640 7.461 14.576 1.00 0.00 C ATOM 4345 O PHE A 268 16.521 7.843 15.744 1.00 0.00 O ATOM 4346 CB PHE A 268 18.464 5.836 14.240 1.00 0.00 C ATOM 4347 CG PHE A 268 19.664 5.354 13.443 1.00 0.00 C ATOM 4348 CD1 PHE A 268 19.468 4.708 12.205 1.00 0.00 C ATOM 4349 CD2 PHE A 268 20.975 5.542 13.928 1.00 0.00 C ATOM 4350 CE1 PHE A 268 20.571 4.279 11.444 1.00 0.00 C ATOM 4351 CE2 PHE A 268 22.080 5.128 13.159 1.00 0.00 C ATOM 4352 CZ PHE A 268 21.879 4.498 11.916 1.00 0.00 C ATOM 4353 H PHE A 268 19.693 7.900 15.136 1.00 0.00 H ATOM 4354 HA PHE A 268 17.943 7.405 12.871 1.00 0.00 H ATOM 4355 1HB PHE A 268 18.670 5.710 15.304 1.00 0.00 H ATOM 4356 2HB PHE A 268 17.644 5.154 14.018 1.00 0.00 H ATOM 4357 HD1 PHE A 268 18.471 4.552 11.821 1.00 0.00 H ATOM 4358 HD2 PHE A 268 21.140 6.015 14.883 1.00 0.00 H ATOM 4359 HE1 PHE A 268 20.408 3.803 10.488 1.00 0.00 H ATOM 4360 HE2 PHE A 268 23.087 5.290 13.519 1.00 0.00 H ATOM 4361 HZ PHE A 268 22.729 4.189 11.324 1.00 0.00 H ATOM 4362 N SER A 269 15.604 7.182 13.789 1.00 0.00 N ATOM 4363 CA SER A 269 14.224 7.271 14.256 1.00 0.00 C ATOM 4364 C SER A 269 13.676 5.845 14.301 1.00 0.00 C ATOM 4365 O SER A 269 14.277 4.910 13.758 1.00 0.00 O ATOM 4366 CB SER A 269 13.334 8.090 13.294 1.00 0.00 C ATOM 4367 OG SER A 269 12.008 8.292 13.760 1.00 0.00 O ATOM 4368 H SER A 269 15.778 6.856 12.847 1.00 0.00 H ATOM 4369 HA SER A 269 14.153 7.706 15.255 1.00 0.00 H ATOM 4370 1HB SER A 269 13.785 9.072 13.147 1.00 0.00 H ATOM 4371 2HB SER A 269 13.298 7.624 12.307 1.00 0.00 H ATOM 4372 HG SER A 269 11.584 8.915 13.179 1.00 0.00 H ATOM 4373 N ALA A 270 12.538 5.675 14.963 1.00 0.00 N ATOM 4374 CA ALA A 270 11.909 4.369 15.055 1.00 0.00 C ATOM 4375 C ALA A 270 11.649 3.817 13.654 1.00 0.00 C ATOM 4376 O ALA A 270 11.919 2.646 13.376 1.00 0.00 O ATOM 4377 CB ALA A 270 10.580 4.471 15.811 1.00 0.00 C ATOM 4378 H ALA A 270 12.052 6.497 15.295 1.00 0.00 H ATOM 4379 HA ALA A 270 12.578 3.686 15.583 1.00 0.00 H ATOM 4380 1HB ALA A 270 10.093 3.497 15.877 1.00 0.00 H ATOM 4381 2HB ALA A 270 10.737 4.824 16.830 1.00 0.00 H ATOM 4382 3HB ALA A 270 9.884 5.157 15.325 1.00 0.00 H ATOM 4383 N GLY A 271 11.129 4.671 12.779 1.00 0.00 N ATOM 4384 CA GLY A 271 10.826 4.290 11.399 1.00 0.00 C ATOM 4385 C GLY A 271 12.067 3.731 10.697 1.00 0.00 C ATOM 4386 O GLY A 271 12.018 2.679 10.062 1.00 0.00 O ATOM 4387 H GLY A 271 10.956 5.619 13.081 1.00 0.00 H ATOM 4388 1HA GLY A 271 10.030 3.544 11.386 1.00 0.00 H ATOM 4389 2HA GLY A 271 10.464 5.159 10.849 1.00 0.00 H ATOM 4390 N GLU A 272 13.184 4.438 10.825 1.00 0.00 N ATOM 4391 CA GLU A 272 14.441 4.021 10.190 1.00 0.00 C ATOM 4392 C GLU A 272 14.979 2.681 10.708 1.00 0.00 C ATOM 4393 O GLU A 272 15.601 1.920 9.961 1.00 0.00 O ATOM 4394 CB GLU A 272 15.500 5.116 10.393 1.00 0.00 C ATOM 4395 CG GLU A 272 16.691 5.087 9.433 1.00 0.00 C ATOM 4396 CD GLU A 272 17.605 6.281 9.652 1.00 0.00 C ATOM 4397 OE1 GLU A 272 17.271 7.208 10.425 1.00 0.00 O ATOM 4398 OE2 GLU A 272 18.704 6.265 9.083 1.00 0.00 O ATOM 4399 H GLU A 272 13.190 5.242 11.432 1.00 0.00 H ATOM 4400 HA GLU A 272 14.251 3.912 9.120 1.00 0.00 H ATOM 4401 1HB GLU A 272 15.008 6.083 10.272 1.00 0.00 H ATOM 4402 2HB GLU A 272 15.864 5.099 11.422 1.00 0.00 H ATOM 4403 1HG GLU A 272 17.274 4.175 9.560 1.00 0.00 H ATOM 4404 2HG GLU A 272 16.353 5.106 8.397 1.00 0.00 H ATOM 4405 N LEU A 273 14.740 2.391 11.987 1.00 0.00 N ATOM 4406 CA LEU A 273 15.221 1.150 12.594 1.00 0.00 C ATOM 4407 C LEU A 273 14.205 0.020 12.537 1.00 0.00 C ATOM 4408 O LEU A 273 14.508 −1.105 12.928 1.00 0.00 O ATOM 4409 CB LEU A 273 15.575 1.387 14.069 1.00 0.00 C ATOM 4410 CG LEU A 273 16.731 2.368 14.351 1.00 0.00 C ATOM 4411 CD1 LEU A 273 16.569 3.016 15.736 1.00 0.00 C ATOM 4412 CD2 LEU A 273 18.096 1.673 14.259 1.00 0.00 C ATOM 4413 H LEU A 273 14.265 3.073 12.567 1.00 0.00 H ATOM 4414 HA LEU A 273 16.122 0.801 12.091 1.00 0.00 H ATOM 4415 1HB LEU A 273 14.674 1.751 14.567 1.00 0.00 H ATOM 4416 2HB LEU A 273 15.809 0.443 14.561 1.00 0.00 H ATOM 4417 HG LEU A 273 16.701 3.163 13.606 1.00 0.00 H ATOM 4418 1HD1 LEU A 273 17.406 3.674 15.970 1.00 0.00 H ATOM 4419 2HD1 LEU A 273 15.660 3.615 15.786 1.00 0.00 H ATOM 4420 3HD1 LEU A 273 16.514 2.263 16.523 1.00 0.00 H ATOM 4421 1HD2 LEU A 273 18.912 2.389 14.365 1.00 0.00 H ATOM 4422 2HD2 LEU A 273 18.214 0.914 15.034 1.00 0.00 H ATOM 4423 3HD2 LEU A 273 18.220 1.178 13.300 1.00 0.00 H ATOM 4424 N SER A 274 13.009 0.314 12.043 1.00 0.00 N ATOM 4425 CA SER A 274 11.927 −0.670 12.018 1.00 0.00 C ATOM 4426 C SER A 274 12.212 −2.053 11.440 1.00 0.00 C ATOM 4427 O SER A 274 11.613 −3.036 11.880 1.00 0.00 O ATOM 4428 CB SER A 274 10.680 −0.066 11.354 1.00 0.00 C ATOM 4429 OG SER A 274 9.489 −0.793 11.618 1.00 0.00 O ATOM 4430 H SER A 274 12.811 1.274 11.791 1.00 0.00 H ATOM 4431 HA SER A 274 11.670 −0.840 13.066 1.00 0.00 H ATOM 4432 1HB SER A 274 10.521 0.950 11.718 1.00 0.00 H ATOM 4433 2HB SER A 274 10.825 0.018 10.275 1.00 0.00 H ATOM 4434 HG SER A 274 9.617 −1.693 11.333 1.00 0.00 H ATOM 4435 N ILE A 275 13.127 −2.159 10.485 1.00 0.00 N ATOM 4436 CA ILE A 275 13.412 −3.469 9.906 1.00 0.00 C ATOM 4437 C ILE A 275 14.167 −4.391 10.865 1.00 0.00 C ATOM 4438 O ILE A 275 14.248 −5.599 10.630 1.00 0.00 O ATOM 4439 CB ILE A 275 14.212 −3.318 8.604 1.00 0.00 C ATOM 4440 CG1 ILE A 275 13.808 −2.079 7.750 1.00 0.00 C ATOM 4441 CG2 ILE A 275 14.142 −4.572 7.702 1.00 0.00 C ATOM 4442 CD1 ILE A 275 14.651 −0.819 8.020 1.00 0.00 C ATOM 4443 H ILE A 275 13.596 −1.334 10.142 1.00 0.00 H ATOM 4444 HA ILE A 275 12.468 −3.959 9.657 1.00 0.00 H ATOM 4445 HB ILE A 275 15.266 −3.190 8.860 1.00 0.00 H ATOM 4446 1HG1 ILE A 275 13.928 −2.302 6.689 1.00 0.00 H ATOM 4447 2HG1 ILE A 275 12.745 −1.858 7.863 1.00 0.00 H ATOM 4448 1HG2 ILE A 275 14.707 −4.431 6.780 1.00 0.00 H ATOM 4449 2HG2 ILE A 275 14.560 −5.458 8.178 1.00 0.00 H ATOM 4450 3HG2 ILE A 275 13.113 −4.801 7.421 1.00 0.00 H ATOM 4451 1HD1 ILE A 275 14.351 −0.005 7.359 1.00 0.00 H ATOM 4452 2HD1 ILE A 275 14.552 −0.450 9.040 1.00 0.00 H ATOM 4453 3HD1 ILE A 275 15.710 −1.003 7.839 1.00 0.00 H ATOM 4454 N GLN A 276 14.714 −3.831 11.943 1.00 0.00 N ATOM 4455 CA GLN A 276 15.476 −4.620 12.915 1.00 0.00 C ATOM 4456 C GLN A 276 15.891 −3.715 14.078 1.00 0.00 C ATOM 4457 O GLN A 276 17.063 −3.365 14.225 1.00 0.00 O ATOM 4458 CB GLN A 276 16.718 −5.207 12.235 1.00 0.00 C ATOM 4459 CG GLN A 276 17.455 −6.263 13.097 1.00 0.00 C ATOM 4460 CD GLN A 276 16.621 −7.516 13.368 1.00 0.00 C ATOM 4461 OE1 GLN A 276 16.068 −8.112 12.450 1.00 0.00 O ATOM 4462 NE2 GLN A 276 16.500 −7.920 14.625 1.00 0.00 N ATOM 4463 H GLN A 276 14.595 −2.835 12.118 1.00 0.00 H ATOM 4464 HA GLN A 276 14.835 −5.421 13.286 1.00 0.00 H ATOM 4465 1HB GLN A 276 16.509 −5.695 11.287 1.00 0.00 H ATOM 4466 2HB GLN A 276 17.417 −4.418 11.972 1.00 0.00 H ATOM 4467 1HG GLN A 276 18.364 −6.577 12.582 1.00 0.00 H ATOM 4468 2HG GLN A 276 17.775 −5.837 14.046 1.00 0.00 H ATOM 4469 1HE2 GLN A 276 15.957 −8.745 14.831 1.00 0.00 H ATOM 4470 2HE2 GLN A 276 16.955 −7.423 15.395 1.00 0.00 H ATOM 4471 N PRO A 277 14.922 −3.323 14.920 1.00 0.00 N ATOM 4472 CA PRO A 277 15.181 −2.449 16.071 1.00 0.00 C ATOM 4473 C PRO A 277 16.396 −2.798 16.931 1.00 0.00 C ATOM 4474 O PRO A 277 17.144 −1.914 17.337 1.00 0.00 O ATOM 4475 CB PRO A 277 13.872 −2.501 16.854 1.00 0.00 C ATOM 4476 CG PRO A 277 12.783 −2.843 15.864 1.00 0.00 C ATOM 4477 CD PRO A 277 13.502 −3.685 14.825 1.00 0.00 C ATOM 4478 HA PRO A 277 15.323 −1.443 15.678 1.00 0.00 H ATOM 4479 1HB PRO A 277 13.911 −3.283 17.614 1.00 0.00 H ATOM 4480 2HB PRO A 277 13.673 −1.564 17.375 1.00 0.00 H ATOM 4481 1HG PRO A 277 12.417 −1.927 15.397 1.00 0.00 H ATOM 4482 2HG PRO A 277 11.931 −3.353 16.315 1.00 0.00 H ATOM 4483 1HD PRO A 277 13.072 −3.504 13.846 1.00 0.00 H ATOM 4484 2HD PRO A 277 13.386 −4.745 15.053 1.00 0.00 H ATOM 4485 N SER A 278 16.608 −4.087 17.233 1.00 0.00 N ATOM 4486 CA SER A 278 17.761 −4.468 18.057 1.00 0.00 C ATOM 4487 C SER A 278 19.128 −3.959 17.603 1.00 0.00 C ATOM 4488 O SER A 278 20.081 −3.948 18.387 1.00 0.00 O ATOM 4489 CB SER A 278 17.703 −5.995 18.073 1.00 0.00 C ATOM 4490 OG SER A 278 17.798 −6.560 16.767 1.00 0.00 O ATOM 4491 H SER A 278 16.031 −4.822 16.853 1.00 0.00 H ATOM 4492 HA SER A 278 17.597 −4.098 19.071 1.00 0.00 H ATOM 4493 1HB SER A 278 18.511 −6.394 18.690 1.00 0.00 H ATOM 4494 2HB SER A 278 16.775 −6.332 18.539 1.00 0.00 H ATOM 4495 HG SER A 278 18.684 −6.406 16.458 1.00 0.00 H ATOM 4496 N LEU A 279 19.241 −3.547 16.345 1.00 0.00 N ATOM 4497 CA LEU A 279 20.520 −3.048 15.844 1.00 0.00 C ATOM 4498 C LEU A 279 20.895 −1.692 16.451 1.00 0.00 C ATOM 4499 O LEU A 279 22.047 −1.261 16.362 1.00 0.00 O ATOM 4500 CB LEU A 279 20.485 −2.946 14.316 1.00 0.00 C ATOM 4501 CG LEU A 279 20.581 −4.285 13.553 1.00 0.00 C ATOM 4502 CD1 LEU A 279 20.419 −4.053 12.043 1.00 0.00 C ATOM 4503 CD2 LEU A 279 21.896 −5.040 13.811 1.00 0.00 C ATOM 4504 H LEU A 279 18.433 −3.537 15.729 1.00 0.00 H ATOM 4505 HA LEU A 279 21.322 −3.714 16.160 1.00 0.00 H ATOM 4506 1HB LEU A 279 19.586 −2.408 14.010 1.00 0.00 H ATOM 4507 2HB LEU A 279 21.316 −2.324 13.977 1.00 0.00 H ATOM 4508 HG LEU A 279 19.765 −4.918 13.887 1.00 0.00 H ATOM 4509 1HD1 LEU A 279 20.398 −4.995 11.494 1.00 0.00 H ATOM 4510 2HD1 LEU A 279 19.493 −3.528 11.824 1.00 0.00 H ATOM 4511 3HD1 LEU A 279 21.237 −3.453 11.642 1.00 0.00 H ATOM 4512 1HD2 LEU A 279 21.952 −5.944 13.204 1.00 0.00 H ATOM 4513 2HD2 LEU A 279 22.760 −4.424 13.560 1.00 0.00 H ATOM 4514 3HD2 LEU A 279 21.996 −5.355 14.849 1.00 0.00 H ATOM 4515 N ASN A 280 19.923 −1.026 17.072 1.00 0.00 N ATOM 4516 CA ASN A 280 20.161 0.275 17.697 1.00 0.00 C ATOM 4517 C ASN A 280 21.312 0.189 18.690 1.00 0.00 C ATOM 4518 O ASN A 280 22.036 1.155 18.906 1.00 0.00 O ATOM 4519 CB ASN A 280 18.904 0.751 18.405 1.00 0.00 C ATOM 4520 CG ASN A 280 18.522 0.135 19.764 1.00 0.00 C ATOM 4521 OD1 ASN A 280 18.943 0.620 20.809 1.00 0.00 O ATOM 4522 ND2 ASN A 280 17.710 −0.911 19.780 1.00 0.00 N ATOM 4523 H ASN A 280 18.989 −1.426 17.083 1.00 0.00 H ATOM 4524 HA ASN A 280 20.415 0.990 16.916 1.00 0.00 H ATOM 4525 1HB ASN A 280 19.016 1.822 18.584 1.00 0.00 H ATOM 4526 2HB ASN A 280 18.051 0.676 17.730 1.00 0.00 H ATOM 4527 1HD2 ASN A 280 17.426 −1.317 20.658 1.00 0.00 H ATOM 4528 2HD2 ASN A 280 17.370 −1.296 18.896 1.00 0.00 H ATOM 4529 N ALA A 281 21.471 −0.982 19.293 1.00 0.00 N ATOM 4530 CA ALA A 281 22.522 −1.230 20.268 1.00 0.00 C ATOM 4531 C ALA A 281 23.903 −1.049 19.659 1.00 0.00 C ATOM 4532 O ALA A 281 24.865 −0.699 20.354 1.00 0.00 O ATOM 4533 CB ALA A 281 22.391 −2.651 20.815 1.00 0.00 C ATOM 4534 H ALA A 281 20.843 −1.738 19.055 1.00 0.00 H ATOM 4535 HA ALA A 281 22.413 −0.517 21.088 1.00 0.00 H ATOM 4536 1HB ALA A 281 23.160 −2.858 21.560 1.00 0.00 H ATOM 4537 2HB ALA A 281 21.424 −2.797 21.296 1.00 0.00 H ATOM 4538 3HB ALA A 281 22.485 −3.398 20.025 1.00 0.00 H ATOM 4539 N ILE A 282 24.003 −1.304 18.359 1.00 0.00 N ATOM 4540 CA ILE A 282 25.269 −1.153 17.651 1.00 0.00 C ATOM 4541 C ILE A 282 25.325 0.209 16.984 1.00 0.00 C ATOM 4542 O ILE A 282 26.340 0.905 17.051 1.00 0.00 O ATOM 4543 CB ILE A 282 25.432 −2.208 16.543 1.00 0.00 C ATOM 4544 CG1 ILE A 282 25.215 −3.643 17.094 1.00 0.00 C ATOM 4545 CG2 ILE A 282 26.801 −2.123 15.817 1.00 0.00 C ATOM 4546 CD1 ILE A 282 25.188 −4.743 16.022 1.00 0.00 C ATOM 4547 H ILE A 282 23.166 −1.508 17.824 1.00 0.00 H ATOM 4548 HA ILE A 282 26.124 −1.231 18.327 1.00 0.00 H ATOM 4549 HB ILE A 282 24.658 −2.045 15.789 1.00 0.00 H ATOM 4550 1HG1 ILE A 282 25.980 −3.875 17.837 1.00 0.00 H ATOM 4551 2HG1 ILE A 282 24.263 −3.704 17.621 1.00 0.00 H ATOM 4552 1HG2 ILE A 282 26.881 −2.847 15.008 1.00 0.00 H ATOM 4553 2HG2 ILE A 282 26.976 −1.153 15.351 1.00 0.00 H ATOM 4554 3HG2 ILE A 282 27.627 −2.308 16.504 1.00 0.00 H ATOM 4555 1HD1 ILE A 282 24.893 −5.697 16.459 1.00 0.00 H ATOM 4556 2HD1 ILE A 282 24.474 −4.507 15.235 1.00 0.00 H ATOM 4557 3HD1 ILE A 282 26.164 −4.892 15.561 1.00 0.00 H ATOM 4558 N LEU A 283 24.213 0.578 16.349 1.00 0.00 N ATOM 4559 CA LEU A 283 24.102 1.824 15.601 1.00 0.00 C ATOM 4560 C LEU A 283 24.227 3.126 16.376 1.00 0.00 C ATOM 4561 O LEU A 283 24.730 4.114 15.836 1.00 0.00 O ATOM 4562 CB LEU A 283 22.800 1.816 14.799 1.00 0.00 C ATOM 4563 CG LEU A 283 22.712 0.708 13.725 1.00 0.00 C ATOM 4564 CD1 LEU A 283 21.276 0.572 13.208 1.00 0.00 C ATOM 4565 CD2 LEU A 283 23.673 0.950 12.553 1.00 0.00 C ATOM 4566 H LEU A 283 23.420 −0.058 16.347 1.00 0.00 H ATOM 4567 HA LEU A 283 24.947 1.853 14.914 1.00 0.00 H ATOM 4568 1HB LEU A 283 21.965 1.723 15.491 1.00 0.00 H ATOM 4569 2HB LEU A 283 22.660 2.780 14.312 1.00 0.00 H ATOM 4570 HG LEU A 283 22.978 −0.251 14.167 1.00 0.00 H ATOM 4571 1HD1 LEU A 283 21.210 −0.209 12.453 1.00 0.00 H ATOM 4572 2HD1 LEU A 283 20.591 0.306 14.013 1.00 0.00 H ATOM 4573 3HD1 LEU A 283 20.923 1.502 12.759 1.00 0.00 H ATOM 4574 1HD2 LEU A 283 23.546 0.181 11.791 1.00 0.00 H ATOM 4575 2HD2 LEU A 283 23.492 1.917 12.084 1.00 0.00 H ATOM 4576 3HD2 LEU A 283 24.718 0.919 12.862 1.00 0.00 H ATOM 4577 N ILE A 284 23.757 3.151 17.619 1.00 0.00 N ATOM 4578 CA ILE A 284 23.873 4.361 18.422 1.00 0.00 C ATOM 4579 C ILE A 284 24.882 4.060 19.521 1.00 0.00 C ATOM 4580 O ILE A 284 24.547 3.431 20.524 1.00 0.00 O ATOM 4581 CB ILE A 284 22.516 4.773 19.047 1.00 0.00 C ATOM 4582 CG1 ILE A 284 21.424 4.904 17.950 1.00 0.00 C ATOM 4583 CG2 ILE A 284 22.623 6.092 19.854 1.00 0.00 C ATOM 4584 CD1 ILE A 284 20.014 5.205 18.476 1.00 0.00 C ATOM 4585 H ILE A 284 23.348 2.323 18.045 1.00 0.00 H ATOM 4586 HA ILE A 284 24.154 5.226 17.828 1.00 0.00 H ATOM 4587 HB ILE A 284 22.189 3.986 19.730 1.00 0.00 H ATOM 4588 1HG1 ILE A 284 21.712 5.674 17.232 1.00 0.00 H ATOM 4589 2HG1 ILE A 284 21.355 3.977 17.380 1.00 0.00 H ATOM 4590 1HG2 ILE A 284 21.687 6.334 20.355 1.00 0.00 H ATOM 4591 2HG2 ILE A 284 23.377 6.042 20.640 1.00 0.00 H ATOM 4592 3HG2 ILE A 284 22.878 6.935 19.209 1.00 0.00 H ATOM 4593 1HD1 ILE A 284 19.284 5.156 17.668 1.00 0.00 H ATOM 4594 2HD1 ILE A 284 19.713 4.488 19.240 1.00 0.00 H ATOM 4595 3HD1 ILE A 284 19.954 6.206 18.900 1.00 0.00 H ATOM 4596 N PRO A 285 26.144 4.479 19.327 1.00 0.00 N ATOM 4597 CA PRO A 285 27.205 4.245 20.311 1.00 0.00 C ATOM 4598 C PRO A 285 26.956 4.940 21.652 1.00 0.00 C ATOM 4599 O PRO A 285 26.177 5.886 21.744 1.00 0.00 O ATOM 4600 CB PRO A 285 28.469 4.748 19.609 1.00 0.00 C ATOM 4601 CG PRO A 285 28.140 5.138 18.191 1.00 0.00 C ATOM 4602 CD PRO A 285 26.645 5.095 18.099 1.00 0.00 C ATOM 4603 HA PRO A 285 27.257 3.165 20.438 1.00 0.00 H ATOM 4604 1HB PRO A 285 28.976 5.535 20.163 1.00 0.00 H ATOM 4605 2HB PRO A 285 29.204 3.942 19.586 1.00 0.00 H ATOM 4606 1HG PRO A 285 28.492 4.361 17.528 1.00 0.00 H ATOM 4607 2HG PRO A 285 28.592 6.058 17.833 1.00 0.00 H ATOM 4608 1HD PRO A 285 26.444 4.476 17.243 1.00 0.00 H ATOM 4609 2HD PRO A 285 26.226 6.090 17.944 1.00 0.00 H ATOM 4610 N PRO A 286 27.615 4.459 22.716 1.00 0.00 N ATOM 4611 CA PRO A 286 27.474 5.022 24.067 1.00 0.00 C ATOM 4612 C PRO A 286 27.540 6.544 24.183 1.00 0.00 C ATOM 4613 O PRO A 286 26.744 7.152 24.895 1.00 0.00 O ATOM 4614 CB PRO A 286 28.589 4.335 24.854 1.00 0.00 C ATOM 4615 CG PRO A 286 28.845 3.011 24.167 1.00 0.00 C ATOM 4616 CD PRO A 286 28.493 3.281 22.711 1.00 0.00 C ATOM 4617 HA PRO A 286 26.505 4.694 24.449 1.00 0.00 H ATOM 4618 1HB PRO A 286 29.505 4.929 24.824 1.00 0.00 H ATOM 4619 2HB PRO A 286 28.328 4.209 25.906 1.00 0.00 H ATOM 4620 1HG PRO A 286 28.171 2.255 24.574 1.00 0.00 H ATOM 4621 2HG PRO A 286 29.867 2.651 24.299 1.00 0.00 H ATOM 4622 1HD PRO A 286 28.016 2.397 22.287 1.00 0.00 H ATOM 4623 2HD PRO A 286 29.393 3.498 22.135 1.00 0.00 H ATOM 4624 N HIS A 287 28.479 7.161 23.475 1.00 0.00 N ATOM 4625 CA HIS A 287 28.658 8.609 23.534 1.00 0.00 C ATOM 4626 C HIS A 287 27.669 9.428 22.724 1.00 0.00 C ATOM 4627 O HIS A 287 27.476 10.615 22.989 1.00 0.00 O ATOM 4628 CB HIS A 287 30.068 8.965 23.069 1.00 0.00 C ATOM 4629 CG HIS A 287 31.131 8.257 23.877 1.00 0.00 C ATOM 4630 ND1 HIS A 287 31.550 8.693 25.123 1.00 0.00 N ATOM 4631 CD2 HIS A 287 31.803 7.073 23.660 1.00 0.00 C ATOM 4632 CE1 HIS A 287 32.422 7.799 25.593 1.00 0.00 C ATOM 4633 NE2 HIS A 287 32.623 6.789 24.754 1.00 0.00 N ATOM 4634 H HIS A 287 29.079 6.631 22.866 1.00 0.00 H ATOM 4635 HA HIS A 287 28.569 8.929 24.574 1.00 0.00 H ATOM 4636 1HB HIS A 287 30.201 8.693 22.021 1.00 0.00 H ATOM 4637 2HB HIS A 287 30.241 10.041 23.130 1.00 0.00 H ATOM 4638 HD1 HIS A 287 31.257 9.531 25.613 1.00 0.00 H ATOM 4639 HD2 HIS A 287 31.743 6.397 22.818 1.00 0.00 H ATOM 4640 HE1 HIS A 287 32.912 7.888 26.553 1.00 0.00 H ATOM 4641 N LEU A 288 27.038 8.802 21.741 1.00 0.00 N ATOM 4642 CA LEU A 288 26.115 9.503 20.856 1.00 0.00 C ATOM 4643 C LEU A 288 24.764 9.927 21.423 1.00 0.00 C ATOM 4644 O LEU A 288 24.137 9.204 22.198 1.00 0.00 O ATOM 4645 CB LEU A 288 25.899 8.670 19.604 1.00 0.00 C ATOM 4646 CG LEU A 288 27.129 8.909 18.661 1.00 0.00 C ATOM 4647 CD1 LEU A 288 27.447 10.396 18.401 1.00 0.00 C ATOM 4648 CD2 LEU A 288 28.434 8.286 19.163 1.00 0.00 C ATOM 4649 H LEU A 288 27.104 7.795 21.671 1.00 0.00 H ATOM 4650 HA LEU A 288 26.622 10.465 20.776 1.00 0.00 H ATOM 4651 1HB LEU A 288 25.761 7.614 19.836 1.00 0.00 H ATOM 4652 2HB LEU A 288 24.991 8.974 19.089 1.00 0.00 H ATOM 4653 HG LEU A 288 26.880 8.439 17.709 1.00 0.00 H ATOM 4654 1HD1 LEU A 288 27.936 10.533 17.436 1.00 0.00 H ATOM 4655 2HD1 LEU A 288 26.546 11.002 18.435 1.00 0.00 H ATOM 4656 3HD1 LEU A 288 28.116 10.825 19.147 1.00 0.00 H ATOM 4657 1HD2 LEU A 288 29.142 8.120 18.351 1.00 0.00 H ATOM 4658 2HD2 LEU A 288 28.944 8.906 19.899 1.00 0.00 H ATOM 4659 3HD2 LEU A 288 28.209 7.356 19.659 1.00 0.00 H ATOM 4660 N ARG A 289 24.332 11.117 21.015 1.00 0.00 N ATOM 4661 CA ARG A 289 23.044 11.678 21.401 1.00 0.00 C ATOM 4662 C ARG A 289 22.766 11.755 22.897 1.00 0.00 C ATOM 4663 O ARG A 289 21.607 11.735 23.316 1.00 0.00 O ATOM 4664 CB ARG A 289 21.925 10.884 20.723 1.00 0.00 C ATOM 4665 CG ARG A 289 20.614 11.652 20.430 1.00 0.00 C ATOM 4666 CD ARG A 289 19.744 10.988 19.344 1.00 0.00 C ATOM 4667 NE ARG A 289 19.136 9.727 19.798 1.00 0.00 N ATOM 4668 CZ ARG A 289 18.292 8.949 19.102 1.00 0.00 C ATOM 4669 NH1 ARG A 289 17.888 9.295 17.878 1.00 0.00 N ATOM 4670 NH2 ARG A 289 17.848 7.819 19.645 1.00 0.00 N ATOM 4671 H ARG A 289 24.913 11.638 20.375 1.00 0.00 H ATOM 4672 HA ARG A 289 23.019 12.703 21.030 1.00 0.00 H ATOM 4673 1HB ARG A 289 22.295 10.514 19.776 1.00 0.00 H ATOM 4674 2HB ARG A 289 21.695 9.978 21.287 1.00 0.00 H ATOM 4675 1HG ARG A 289 20.030 11.786 21.341 1.00 0.00 H ATOM 4676 2HG ARG A 289 20.859 12.658 20.087 1.00 0.00 H ATOM 4677 1HD ARG A 289 18.940 11.670 19.064 1.00 0.00 H ATOM 4678 2HD ARG A 289 20.329 10.803 18.441 1.00 0.00 H ATOM 4679 HE ARG A 289 19.426 9.436 20.722 1.00 0.00 H ATOM 4680 1HH1 ARG A 289 17.309 8.696 17.285 1.00 0.00 H ATOM 4681 2HH1 ARG A 289 18.160 10.179 17.488 1.00 0.00 H ATOM 4682 1HH2 ARG A 289 17.216 7.206 19.153 1.00 0.00 H ATOM 4683 2HH2 ARG A 289 18.132 7.521 20.565 1.00 0.00 H ATOM 4684 N SER A 290 23.818 11.836 23.707 1.00 0.00 N ATOM 4685 CA SER A 290 23.625 11.923 25.150 1.00 0.00 C ATOM 4686 C SER A 290 23.079 13.312 25.468 1.00 0.00 C ATOM 4687 O SER A 290 23.754 14.324 25.244 1.00 0.00 O ATOM 4688 CB SER A 290 24.958 11.711 25.918 1.00 0.00 C ATOM 4689 OG SER A 290 24.769 11.638 27.321 1.00 0.00 O ATOM 4690 H SER A 290 24.751 11.831 23.324 1.00 0.00 H ATOM 4691 HA SER A 290 22.934 11.141 25.471 1.00 0.00 H ATOM 4692 1HB SER A 290 25.420 10.777 25.592 1.00 0.00 H ATOM 4693 2HB SER A 290 25.675 12.503 25.690 1.00 0.00 H ATOM 4694 HG SER A 290 25.615 11.466 27.721 1.00 0.00 H ATOM 4695 N PRO A 291 21.848 13.355 25.971 1.00 0.00 N ATOM 4696 CA PRO A 291 21.215 14.621 26.320 1.00 0.00 C ATOM 4697 C PRO A 291 20.277 14.491 27.528 1.00 0.00 C ATOM 4698 O PRO A 291 19.319 13.714 27.516 1.00 0.00 O ATOM 4699 CB PRO A 291 20.459 15.181 25.103 1.00 0.00 C ATOM 4700 CG PRO A 291 19.868 13.783 24.666 1.00 0.00 C ATOM 4701 CD PRO A 291 20.661 12.652 25.465 1.00 0.00 C ATOM 4702 HA PRO A 291 21.975 15.355 26.597 1.00 0.00 H ATOM 4703 1HB PRO A 291 19.698 15.924 25.349 1.00 0.00 H ATOM 4704 2HB PRO A 291 21.144 15.584 24.357 1.00 0.00 H ATOM 4705 1HG PRO A 291 19.977 13.661 23.588 1.00 0.00 H ATOM 4706 2HG PRO A 291 18.801 13.716 24.879 1.00 0.00 H ATOM 4707 1HD PRO A 291 20.690 11.613 25.178 1.00 0.00 H ATOM 4708 2HD PRO A 291 20.106 12.195 26.266 1.00 0.00 H ATOM 4709 N ALA A 292 20.580 15.251 28.576 1.00 0.00 N ATOM 4710 CA ALA A 292 19.777 15.249 29.796 1.00 0.00 C ATOM 4711 C ALA A 292 18.630 16.253 29.672 1.00 0.00 C ATOM 4712 O ALA A 292 18.573 17.031 28.719 1.00 0.00 O ATOM 4713 CB ALA A 292 20.655 15.589 30.998 1.00 0.00 C ATOM 4714 H ALA A 292 21.339 15.912 28.505 1.00 0.00 H ATOM 4715 HA ALA A 292 19.347 14.259 29.964 1.00 0.00 H ATOM 4716 1HB ALA A 292 20.092 15.551 31.931 1.00 0.00 H ATOM 4717 2HB ALA A 292 21.478 14.881 31.092 1.00 0.00 H ATOM 4718 3HB ALA A 292 21.084 16.588 30.912 1.00 0.00 H ATOM 4719 N GLY A 293 17.722 16.232 30.642 1.00 0.00 N ATOM 4720 CA GLY A 293 16.577 17.135 30.637 1.00 0.00 C ATOM 4721 C GLY A 293 16.790 18.334 31.560 1.00 0.00 C ATOM 4722 O GLY A 293 15.827 18.970 31.993 1.00 0.00 O ATOM 4723 H GLY A 293 17.825 15.586 31.411 1.00 0.00 H ATOM 4724 1HA GLY A 293 16.317 17.493 29.639 1.00 0.00 H ATOM 4725 2HA GLY A 293 15.709 16.581 30.994 1.00 0.00 H ATOM 4726 N THR A 294 18.055 18.635 31.856 1.00 0.00 N ATOM 4727 CA THR A 294 18.411 19.765 32.712 1.00 0.00 C ATOM 4728 C THR A 294 17.773 19.691 34.103 1.00 0.00 C ATOM 4729 O THR A 294 16.557 19.960 34.217 1.00 0.00 O ATOM 4730 CB THR A 294 18.029 21.085 32.024 1.00 0.00 C ATOM 4731 OG1 THR A 294 18.639 21.124 30.740 1.00 0.00 O ATOM 4732 CG2 THR A 294 18.531 22.344 32.754 1.00 0.00 C ATOM 4733 H THR A 294 18.792 18.104 31.423 1.00 0.00 H ATOM 4734 HA THR A 294 19.495 19.737 32.832 1.00 0.00 H ATOM 4735 HB THR A 294 16.950 21.179 31.892 1.00 0.00 H ATOM 4736 HG1 THR A 294 18.268 21.858 30.262 1.00 0.00 H ATOM 4737 1HG2 THR A 294 18.295 23.248 32.192 1.00 0.00 H ATOM 4738 2HG2 THR A 294 18.067 22.454 33.734 1.00 0.00 H ATOM 4739 3HG2 THR A 294 19.612 22.317 32.901 1.00 0.00 H ATOM 4740 N NMA A 295 18.543 19.329 35.133 1.00 0.00 N ATOM 4741 CA NMA A 295 18.068 19.211 36.504 1.00 0.00 C ATOM 4742 H NMA A 295 19.515 19.117 34.949 1.00 0.00 H ATOM 4743 1HA NMA A 295 18.882 18.899 37.159 1.00 0.00 H ATOM 4744 2HA NMA A 295 17.685 20.165 36.866 1.00 0.00 H ATOM 4745 3HA NMA A 295 17.270 18.470 36.576 1.00 0.00 H ENDMDL

TABLE 2 Conservative substitutions ALIPHATIC Non - polar G A P I L V Polar - uncharged C S T M N Q Polar - charged D E K R AROMATIC H F W Y

TABLE 3 Scoring Function of GSK Alpha Ligand bound to the GSK-3 Alpha Model Glide Score Glide Energy Interacting Residue −8.97 40.977 GLU 39

TABLE 4 Scoring Function of GSK Beta Ligand bound to GSK-3 Alpha Model Glide Score Glide Energy Interacting Residues −6.78 −23.47 PHE 107, VAL 41, CYS 105

REFERENCES

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1. A three-dimensional structure of Glycogen Synthase Kinase 3-Alpha (GSK3-α) or a variant thereof for screening a modulator that modulates the activity of GSK3-α, wherein said structure is defined by at least a portion of structure co-ordinates structure co-ordinates as shown in Table
 1. 2. The three-dimensional structure of claim 1, wherein the GSK3-α comprises the amino acid sequence set forth in SEQ ID NO:
 1. 3. The three-dimensional structure of claim 1, wherein said structure co-ordinate comprises a ligand binding domain defined by amino acid residue selected from a group consisting of VAL 49, ASP 106, GLU 39, GLN 91, ASN 92, LYS 89 and combinations thereof.
 4. A computer assisted system for producing a three-dimensional structure of GSK3-α or a variant thereof of claim 1, wherein the system comprises: (a) a computer readable data storage medium comprising a data storage material encoded with computer readable data, wherein said data comprises at least a portion of the structure co-ordinates of Table 1 (b) a working memory for storing instructions for processing said computer readable data; (c) a central processing unit coupled to said computer readable data storage medium and said working memory for processing said computer readable data into said three-dimensional structure; and (d) a display coupled to said central processing unit for displaying said three-dimensional structure.
 5. A method of generating three-dimensional structure of GSK3-α or a variant thereof wherein said method comprises employing the computer assisted system of claim
 4. 6. The method of generating a three-dimensional structure of GSK3-α or a variant thereof of claim 5, wherein the GSK3-α comprises the amino acid sequence set forth in SEQ ID NO:
 1. 7. The method of generating a three-dimensional structure of GSK3-α or a variant thereof of claim 5, wherein said structure co-ordinate comprises a ligand binding domain defined by amino acid residue selected from a group consisting of VAL 49, ASP 106, GLU 39, GLN 91, ASN 92, LYS 89 and combinations thereof.
 8. A method of screening a modulator for modulating the activity of GSK3-α or a variant thereof, wherein said method comprises using at least a portion of the structure co-ordinates of Table
 1. 9. The method of claim 8, wherein said method comprises: a. employing said structure co-ordinates to identify a modulator of GSK3-α or variant; b. contacting said modulator with GSK3-α or variant, and c. determining the modulating activity of said modulator.
 10. The method of screening a modulator of claim 8, wherein the GSK3-α comprises the amino acid sequence set forth in SEQ ID NO:
 1. 11. The method of screening a modulator of claim 8, wherein said structure co-ordinate comprises a ligand binding domain defined by amino acid residue selected from a group consisting of VAL 49, ASP 106, GLU 39, GLN 91, ASN 92, LYS 89 and combinations thereof.
 12. The method of screening a modulator of claim 8, wherein the modulator inhibits GSK3-α activity.
 13. The method of screening a modulator of claim 8, wherein the modulator is associated with preventing and/or treating GSK3-α related diseases selected from a group consisting of HIV/AIDS, angiogenesis, breast cancer, colon cancer, type II diabetes, glioblastoma, pancreatic cancer, xaelanoma, prostrate cancer, and schizophrenia.
 14. Use of the three-dimensional structure of claim 1 for screening a modulator that modulates the activity of GSK3-α.
 15. Use of the three-dimensional structure of claim 1 for designing, selecting and synthesizing a modulator that modulates the activity of GSK3-α.
 16. Use of a computer assisted system of claim 4 for producing a three-dimensional structure of GSK3-α or a variant thereof for screening a modulator that modulates the activity of GSK3-α.
 17. Use of a computer assisted system of claim 4 for producing a three-dimensional structure of GSK3-α or a variant thereof for designing, selecting and synthesizing a modulator that modulates the activity of GSK3-α.
 18. A compound identified by the method of claim 8, wherein said compound modulates the activity of GSK3-α or a variant thereof. 